N-prop-2-enylbut-3-enamide

C7H11NO — CID 11182609

IUPACN-prop-2-enylbut-3-enamide
SMILESC=CCNC(=O)CC=C
InChIInChI=1S/C7H11NO/c1-3-5-7(9)8-6-4-2/h3-4H,1-2,5-6H2,(H,8,9)
InChIKeyMTKMUDQENSWUJL-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.86
Rot. Bonds4

About N-prop-2-enylbut-3-enamide

N-prop-2-enylbut-3-enamide (PubChem CID 11182609) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is N-prop-2-enylbut-3-enamide.

Molecular Properties

Compound NameN-prop-2-enylbut-3-enamide
PubChem CID11182609
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC NameN-prop-2-enylbut-3-enamide
SMILESC=CCNC(=O)CC=C
InChIInChI=1S/C7H11NO/c1-3-5-7(9)8-6-4-2/h3-4H,1-2,5-6H2,(H,8,9)
InChIKeyMTKMUDQENSWUJL-UHFFFAOYSA-N
XLogP0.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-prop-2-enylbut-3-enamide 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-prop-2-enylbut-3-enamide?
The IUPAC name of N-prop-2-enylbut-3-enamide (CID 11182609) is N-prop-2-enylbut-3-enamide.
What is the SMILES notation for N-prop-2-enylbut-3-enamide?
The canonical SMILES for N-prop-2-enylbut-3-enamide is C=CCNC(=O)CC=C.
What is the InChIKey of N-prop-2-enylbut-3-enamide?
The InChIKey is MTKMUDQENSWUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-3-5-7(9)8-6-4-2/h3-4H,1-2,5-6H2,(H,8,9).
What are the key properties of N-prop-2-enylbut-3-enamide?
N-prop-2-enylbut-3-enamide has a molecular weight of 125.17 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylbut-3-enamide is sourced from PubChem (CID 11182609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).