3-amino-N-prop-2-enylpropanamide

C6H12N2O — CID 22692022

IUPAC3-amino-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCN
InChIInChI=1S/C6H12N2O/c1-2-5-8-6(9)3-4-7/h2H,1,3-5,7H2,(H,8,9)
InChIKeyKTUZMPFSODIIPV-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.36
Rot. Bonds4

About 3-amino-N-prop-2-enylpropanamide

3-amino-N-prop-2-enylpropanamide (PubChem CID 22692022) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 3-amino-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-amino-N-prop-2-enylpropanamide
PubChem CID22692022
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name3-amino-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCN
InChIInChI=1S/C6H12N2O/c1-2-5-8-6(9)3-4-7/h2H,1,3-5,7H2,(H,8,9)
InChIKeyKTUZMPFSODIIPV-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 3-amino-N-prop-2-enylpropanamide 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 3-amino-N-prop-2-enylpropanamide?
The IUPAC name of 3-amino-N-prop-2-enylpropanamide (CID 22692022) is 3-amino-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-amino-N-prop-2-enylpropanamide?
The canonical SMILES for 3-amino-N-prop-2-enylpropanamide is C=CCNC(=O)CCN.
What is the InChIKey of 3-amino-N-prop-2-enylpropanamide?
The InChIKey is KTUZMPFSODIIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-5-8-6(9)3-4-7/h2H,1,3-5,7H2,(H,8,9).
What are the key properties of 3-amino-N-prop-2-enylpropanamide?
3-amino-N-prop-2-enylpropanamide 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 3-amino-N-prop-2-enylpropanamide is sourced from PubChem (CID 22692022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).