EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	171CCE77J8
EPA CompTox	DTXSID1062041

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

171CCE77J8

EPA CompTox

DTXSID1062041


InChI Key	QISSLHPKTCLLDL-UHFFFAOYSA-N
Smiles	CC(=O)N1CCCCCC1=O
InChI	InChI=1S/C8H13NO2/c1-7(10)9-6-4-2-3-5-8(9)11/h2-6H2,1H3

InChI Key

QISSLHPKTCLLDL-UHFFFAOYSA-N

Smiles

CC(=O)N1CCCCCC1=O

InChI

InChI=1S/C8H13NO2/c1-7(10)9-6-4-2-3-5-8(9)11/h2-6H2,1H3

Property Name	Value
Molecular Formula	C8H13N1O2
Molecular Weight	155.09
AlogP	0.94
Hydrogen Bond Acceptor	2.0
Polar Surface Area	37.38
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C8H13N1O2

Molecular Weight

155.09

AlogP

0.94

Hydrogen Bond Acceptor

2.0

Polar Surface Area

37.38

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	1888-91-1
NORMAN SUSDAT
FDA SRS	171CCE77J8
PubChem	15904
ChemSpider	15115.0

Resources

Reference

CAS NUMBER

1888-91-1

NORMAN SUSDAT

FDA SRS

171CCE77J8

PubChem

15904

ChemSpider

15115.0

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

2H-AZEPIN-2-ONE, 1-ACETYLHEXAHYDRO-

Structure

Physicochemical Descriptors

Cross References