EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	UM3B2GM6LP
EPA CompTox	DTXSID70187296

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

UM3B2GM6LP

EPA CompTox

DTXSID70187296


InChI Key	NOHNSECEKFOVGT-UHFFFAOYSA-N
Smiles	CCCCN1CC(=O)NC1=O
InChI	InChI=1S/C7H12N2O2/c1-2-3-4-9-5-6(10)8-7(9)11/h2-5H2,1H3,(H,8,10,11)

InChI Key

NOHNSECEKFOVGT-UHFFFAOYSA-N

Smiles

CCCCN1CC(=O)NC1=O

InChI

InChI=1S/C7H12N2O2/c1-2-3-4-9-5-6(10)8-7(9)11/h2-5H2,1H3,(H,8,10,11)

Property Name	Value
Molecular Formula	C7H12N2O2
Molecular Weight	156.09
AlogP	1.18
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	52.9
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C7H12N2O2

Molecular Weight

156.09

AlogP

1.18

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

52.9

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	33599-32-5
NORMAN SUSDAT
FDA SRS	UM3B2GM6LP
PubChem	118506
ChemSpider	105918.0

Resources

Reference

CAS NUMBER

33599-32-5

NORMAN SUSDAT

FDA SRS

UM3B2GM6LP

PubChem

118506

ChemSpider

105918.0

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...

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

Last update: Monday, 3 November 2025

1-BUTYLIMIDAZOLIDINE-2,4-DIONE

Structure

Physicochemical Descriptors

Cross References