EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	KHQ2EEU7AW
EPA CompTox	DTXSID10143972

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

KHQ2EEU7AW

EPA CompTox

DTXSID10143972


InChI Key	ILRMPAUJTPZAIQ-UHFFFAOYSA-N
Smiles	C=C(C#N)C(=O)OC1CCCCC1
InChI	InChI=1S/C10H13NO2/c1-8(7-11)10(12)13-9-5-3-2-4-6-9/h9H,1-6H2

InChI Key

ILRMPAUJTPZAIQ-UHFFFAOYSA-N

Smiles

C=C(C#N)C(=O)OC1CCCCC1

InChI

InChI=1S/C10H13NO2/c1-8(7-11)10(12)13-9-5-3-2-4-6-9/h9H,1-6H2

Property Name	Value
Molecular Formula	C10H13N1O2
Molecular Weight	179.09
AlogP	1.94
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	50.09
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C10H13N1O2

Molecular Weight

179.09

AlogP

1.94

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

2.0

Polar Surface Area

50.09

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	10151-78-7
NORMAN SUSDAT
FDA SRS	KHQ2EEU7AW
PubChem	82411
ChemSpider	74373.0

Resources

Reference

CAS NUMBER

10151-78-7

NORMAN SUSDAT

FDA SRS

KHQ2EEU7AW

PubChem

82411

ChemSpider

74373.0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

CYCLOHEXYL 2-CYANOACRYLATE

Structure

Physicochemical Descriptors

Cross References