2-aminoprop-2-enamide;aniline

C9H13N3O — CID 143815289

IUPAC2-aminoprop-2-enamide;aniline
SMILESC=C(N)C(N)=O.Nc1ccccc1
InChIInChI=1S/C6H7N.C3H6N2O/c7-6-4-2-1-3-5-6;1-2(4)3(5)6/h1-5H,7H2;1,4H2,(H2,5,6)
InChIKeyQYUDWTASWNNWJE-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.21
Rot. Bonds1

About 2-aminoprop-2-enamide;aniline

2-aminoprop-2-enamide;aniline (PubChem CID 143815289) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-aminoprop-2-enamide;aniline.

Molecular Properties

Compound Name2-aminoprop-2-enamide;aniline
PubChem CID143815289
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-aminoprop-2-enamide;aniline
SMILESC=C(N)C(N)=O.Nc1ccccc1
InChIInChI=1S/C6H7N.C3H6N2O/c7-6-4-2-1-3-5-6;1-2(4)3(5)6/h1-5H,7H2;1,4H2,(H2,5,6)
InChIKeyQYUDWTASWNNWJE-UHFFFAOYSA-N
XLogP0.21
TPSA95.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-aminoprop-2-enamide;aniline 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

aniline;formaldehyde;urea
CID 68656751
sodium;aniline;carbonic acid;hydride
CID 175280477
aniline;ethane;2-methylprop-1-ene
CID 123218647
aniline;but-2-enedioic acid
CID 160758978
aniline;methanol
CID 140536335
aniline;azane
CID 171780637
aniline;mercury(2+)
CID 23616182
aniline;niobium
CID 161015220
aniline;mercury
CID 54604260
2-aminoprop-2-enamide
CID 3332061
aniline;buta-1,3-dien-2-amine;ethane;ethene
CID 143134193
aniline;propa-1,2-diene
CID 87851627

Frequently Asked Questions

What is the IUPAC name of 2-aminoprop-2-enamide;aniline?
The IUPAC name of 2-aminoprop-2-enamide;aniline (CID 143815289) is 2-aminoprop-2-enamide;aniline.
What is the SMILES notation for 2-aminoprop-2-enamide;aniline?
The canonical SMILES for 2-aminoprop-2-enamide;aniline is C=C(N)C(N)=O.Nc1ccccc1.
What is the InChIKey of 2-aminoprop-2-enamide;aniline?
The InChIKey is QYUDWTASWNNWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C3H6N2O/c7-6-4-2-1-3-5-6;1-2(4)3(5)6/h1-5H,7H2;1,4H2,(H2,5,6).
What are the key properties of 2-aminoprop-2-enamide;aniline?
2-aminoprop-2-enamide;aniline has a molecular weight of 179.22 g/mol, XLogP of 0.21, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoprop-2-enamide;aniline is sourced from PubChem (CID 143815289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).