EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID90188306

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID90188306


InChI Key	CGJZPGDXEGFRAL-UHFFFAOYSA-N
Smiles	O=C1CCCN1CCCCCCN1CCCC1=O
InChI	InChI=1S/C14H24N2O2/c17-13-7-5-11-15(13)9-3-1-2-4-10-16-12-6-8-14(16)18/h1-12H2

InChI Key

CGJZPGDXEGFRAL-UHFFFAOYSA-N

Smiles

O=C1CCCN1CCCCCCN1CCCC1=O

InChI

InChI=1S/C14H24N2O2/c17-13-7-5-11-15(13)9-3-1-2-4-10-16-12-6-8-14(16)18/h1-12H2

Property Name	Value
Molecular Formula	C14H24N2O2
Molecular Weight	252.18
AlogP	1.79
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	7.0
Polar Surface Area	40.62
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C14H24N2O2

Molecular Weight

252.18

AlogP

1.79

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

7.0

Polar Surface Area

40.62

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	34751-43-4
NORMAN SUSDAT
PubChem	118729
ChemSpider	106101.0

Resources

Reference

CAS NUMBER

34751-43-4

NORMAN SUSDAT

PubChem

118729

ChemSpider

106101.0

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, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

1,1'-HEXAMETHYLENEBIS(PYRROLIDIN-2-ONE)

Structure

Physicochemical Descriptors

Cross References