EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	227WR07D3L
EPA CompTox	DTXSID0063735

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

227WR07D3L

EPA CompTox

DTXSID0063735


InChI Key	RQAKESSLMFZVMC-UHFFFAOYSA-N
Smiles	CC(=O)NC=C
InChI	InChI=1S/C4H7NO/c1-3-5-4(2)6/h3H,1H2,2H3,(H,5,6)

InChI Key

RQAKESSLMFZVMC-UHFFFAOYSA-N

Smiles

CC(=O)NC=C

InChI

InChI=1S/C4H7NO/c1-3-5-4(2)6/h3H,1H2,2H3,(H,5,6)

Property Name	Value
Molecular Formula	C4H7N1O1
Molecular Weight	85.05
AlogP	1.11
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	32.59
Heavy Atoms	6.0

Property Name

Value

Molecular Formula

C4H7N1O1

Molecular Weight

85.05

AlogP

1.11

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

32.59

Heavy Atoms

6.0

Resources	Reference
CAS NUMBER	5202-78-8
NORMAN SUSDAT
FDA SRS	227WR07D3L
PubChem	78875
ChemSpider	71210.0

Resources

Reference

CAS NUMBER

5202-78-8

NORMAN SUSDAT

FDA SRS

227WR07D3L

PubChem

78875

ChemSpider

71210.0

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

ACETAMIDE, N-ETHENYL-

Structure

Physicochemical Descriptors

Cross References