3-(prop-2-enylamino)propanamide

C6H12N2O — CID 22753219

IUPAC3-(prop-2-enylamino)propanamide
SMILESC=CCNCCC(N)=O
InChIInChI=1S/C6H12N2O/c1-2-4-8-5-3-6(7)9/h2,8H,1,3-5H2,(H2,7,9)
InChIKeyBGRBSAXCIXLYCF-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.36
Rot. Bonds5

About 3-(prop-2-enylamino)propanamide

3-(prop-2-enylamino)propanamide (PubChem CID 22753219) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 3-(prop-2-enylamino)propanamide.

Molecular Properties

Compound Name3-(prop-2-enylamino)propanamide
PubChem CID22753219
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name3-(prop-2-enylamino)propanamide
SMILESC=CCNCCC(N)=O
InChIInChI=1S/C6H12N2O/c1-2-4-8-5-3-6(7)9/h2,8H,1,3-5H2,(H2,7,9)
InChIKeyBGRBSAXCIXLYCF-UHFFFAOYSA-N
XLogP-0.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(prop-2-enylamino)propanamide?
The IUPAC name of 3-(prop-2-enylamino)propanamide (CID 22753219) is 3-(prop-2-enylamino)propanamide.
What is the SMILES notation for 3-(prop-2-enylamino)propanamide?
The canonical SMILES for 3-(prop-2-enylamino)propanamide is C=CCNCCC(N)=O.
What is the InChIKey of 3-(prop-2-enylamino)propanamide?
The InChIKey is BGRBSAXCIXLYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-4-8-5-3-6(7)9/h2,8H,1,3-5H2,(H2,7,9).
What are the key properties of 3-(prop-2-enylamino)propanamide?
3-(prop-2-enylamino)propanamide has a molecular weight of 128.17 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-2-enylamino)propanamide is sourced from PubChem (CID 22753219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).