2-(prop-2-enylamino)propanamide

C6H12N2O — CID 13326684

IUPAC2-(prop-2-enylamino)propanamide
SMILESC=CCNC(C)C(N)=O
InChIInChI=1S/C6H12N2O/c1-3-4-8-5(2)6(7)9/h3,5,8H,1,4H2,2H3,(H2,7,9)
InChIKeyAHDJBNXTWPWIAC-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.36
Rot. Bonds4

About 2-(prop-2-enylamino)propanamide

2-(prop-2-enylamino)propanamide (PubChem CID 13326684) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-(prop-2-enylamino)propanamide.

Molecular Properties

Compound Name2-(prop-2-enylamino)propanamide
PubChem CID13326684
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name2-(prop-2-enylamino)propanamide
SMILESC=CCNC(C)C(N)=O
InChIInChI=1S/C6H12N2O/c1-3-4-8-5(2)6(7)9/h3,5,8H,1,4H2,2H3,(H2,7,9)
InChIKeyAHDJBNXTWPWIAC-UHFFFAOYSA-N
XLogP-0.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(prop-2-enylamino)propanamide 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

2-Propen-1-aminium, N-(2-amino-2-oxoethyl)-N,N-dimethyl-
CID 3047472
2,5-Dihydro-1H-pyrrole-2-carboxamide
CID 549255
N~2~-Prop-2-en-1-ylglycinamide
CID 18474081
Allyloxamid
CID 22736542
N-methyl-2-[(prop-2-en-1-yl)amino]acetamide
CID 28563374
2-(1-Fluoroprop-2-enylamino)propanamide
CID 87867727
2-(3-Fluoroprop-2-enylamino)propanamide
CID 173179196
2-(dimethylamino)-N-prop-2-enylacetamide
CID 19362079
2-[acetyl(propan-2-yl)amino]-N-prop-2-enylacetamide
CID 113158100
(S)-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 7408156
2-[[(E)-but-2-enyl]amino]acetamide
CID 14517970
2-Acetamidobut-3-enamide
CID 21340822

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)propanamide?
The IUPAC name of 2-(prop-2-enylamino)propanamide (CID 13326684) is 2-(prop-2-enylamino)propanamide.
What is the SMILES notation for 2-(prop-2-enylamino)propanamide?
The canonical SMILES for 2-(prop-2-enylamino)propanamide is C=CCNC(C)C(N)=O.
What is the InChIKey of 2-(prop-2-enylamino)propanamide?
The InChIKey is AHDJBNXTWPWIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-3-4-8-5(2)6(7)9/h3,5,8H,1,4H2,2H3,(H2,7,9).
What are the key properties of 2-(prop-2-enylamino)propanamide?
2-(prop-2-enylamino)propanamide has a molecular weight of 128.17 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylamino)propanamide is sourced from PubChem (CID 13326684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).