N-methyl-N-[(E)-3-oxobut-1-enyl]acetamide

C7H11NO2 — CID 131236733

IUPACN-methyl-N-[(E)-3-oxobut-1-enyl]acetamide
SMILESCC(=O)/C=C/N(C)C(C)=O
InChIInChI=1S/C7H11NO2/c1-6(9)4-5-8(3)7(2)10/h4-5H,1-3H3/b5-4+
InChIKeyAJIVOUNIUCGZMW-SNAWJCMRSA-N
MW141.17 g/mol
LogP0.57
Rot. Bonds2

About N-methyl-N-[(E)-3-oxobut-1-enyl]acetamide

N-methyl-N-[(E)-3-oxobut-1-enyl]acetamide (PubChem CID 131236733) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is N-methyl-N-[(E)-3-oxobut-1-enyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(E)-3-oxobut-1-enyl]acetamide
PubChem CID131236733
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC NameN-methyl-N-[(E)-3-oxobut-1-enyl]acetamide
SMILESCC(=O)/C=C/N(C)C(C)=O
InChIInChI=1S/C7H11NO2/c1-6(9)4-5-8(3)7(2)10/h4-5H,1-3H3/b5-4+
InChIKeyAJIVOUNIUCGZMW-SNAWJCMRSA-N
XLogP0.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-methyl-N-[(E)-3-oxobut-1-enyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-4-[hydroxymethyl(methyl)amino]but-3-en-2-one
CID 131241359
(E)-hex-3-ene-2,5-dione
CID 5363639
(3E,5Z,7E)-deca-3,5,7-triene-2,9-dione
CID 10749538
N-[(E,3R)-3-[acetyl(methyl)amino]but-1-enyl]-N-methylacetamide
CID 125476538
ethane;N-ethenyl-N-methylacetamide
CID 143223383
(E)-4-[bis(2-chloroethyl)amino]but-3-en-2-one
CID 6440053
N,N-bis(prop-1-enyl)acetamide
CID 85447022
pent-3-en-2-one
CID 12248
bis(N,N-dimethylacetamide);hydron;bromide;dihydrobromide
CID 173055527
N-[(E)-2,3-dimethylbut-1-enyl]-N-methylacetamide
CID 177234095
1,7-bis(dimethylamino)hepta-1,6-diene-3,4,5-trione
CID 57279560
6-oxohepta-2,4-dienal
CID 54295604

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-3-oxobut-1-enyl]acetamide?
The IUPAC name of N-methyl-N-[(E)-3-oxobut-1-enyl]acetamide (CID 131236733) is N-methyl-N-[(E)-3-oxobut-1-enyl]acetamide.
What is the SMILES notation for N-methyl-N-[(E)-3-oxobut-1-enyl]acetamide?
The canonical SMILES for N-methyl-N-[(E)-3-oxobut-1-enyl]acetamide is CC(=O)/C=C/N(C)C(C)=O.
What is the InChIKey of N-methyl-N-[(E)-3-oxobut-1-enyl]acetamide?
The InChIKey is AJIVOUNIUCGZMW-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H11NO2/c1-6(9)4-5-8(3)7(2)10/h4-5H,1-3H3/b5-4+.
What are the key properties of N-methyl-N-[(E)-3-oxobut-1-enyl]acetamide?
N-methyl-N-[(E)-3-oxobut-1-enyl]acetamide has a molecular weight of 141.17 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-3-oxobut-1-enyl]acetamide is sourced from PubChem (CID 131236733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).