N-(3-iminoprop-1-en-2-yl)acetamide

C5H8N2O — CID 166654801

IUPACN-(3-iminoprop-1-en-2-yl)acetamide
SMILES[H]/N=C/C(=C)NC(C)=O
InChIInChI=1S/C5H8N2O/c1-4(3-6)7-5(2)8/h3,6H,1H2,2H3,(H,7,8)/b6-3+
InChIKeyCFGKQQMUCHCGFH-ZZXKWVIFSA-N
MW112.13 g/mol
LogP0.29
Rot. Bonds2

About N-(3-iminoprop-1-en-2-yl)acetamide

N-(3-iminoprop-1-en-2-yl)acetamide (PubChem CID 166654801) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is N-(3-iminoprop-1-en-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-iminoprop-1-en-2-yl)acetamide
PubChem CID166654801
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC NameN-(3-iminoprop-1-en-2-yl)acetamide
SMILES[H]/N=C/C(=C)NC(C)=O
InChIInChI=1S/C5H8N2O/c1-4(3-6)7-5(2)8/h3,6H,1H2,2H3,(H,7,8)/b6-3+
InChIKeyCFGKQQMUCHCGFH-ZZXKWVIFSA-N
XLogP0.29
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(3-iminoprop-1-en-2-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-iminoprop-1-en-2-yl)acetamide?
The IUPAC name of N-(3-iminoprop-1-en-2-yl)acetamide (CID 166654801) is N-(3-iminoprop-1-en-2-yl)acetamide.
What is the SMILES notation for N-(3-iminoprop-1-en-2-yl)acetamide?
The canonical SMILES for N-(3-iminoprop-1-en-2-yl)acetamide is [H]/N=C/C(=C)NC(C)=O.
What is the InChIKey of N-(3-iminoprop-1-en-2-yl)acetamide?
The InChIKey is CFGKQQMUCHCGFH-ZZXKWVIFSA-N. The full InChI is InChI=1S/C5H8N2O/c1-4(3-6)7-5(2)8/h3,6H,1H2,2H3,(H,7,8)/b6-3+.
What are the key properties of N-(3-iminoprop-1-en-2-yl)acetamide?
N-(3-iminoprop-1-en-2-yl)acetamide has a molecular weight of 112.13 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iminoprop-1-en-2-yl)acetamide is sourced from PubChem (CID 166654801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).