N-methyl-2-(propanoylamino)pent-4-enamide

C9H16N2O2 — CID 22926605

IUPACN-methyl-2-(propanoylamino)pent-4-enamide
SMILESC=CCC(NC(=O)CC)C(=O)NC
InChIInChI=1S/C9H16N2O2/c1-4-6-7(9(13)10-3)11-8(12)5-2/h4,7H,1,5-6H2,2-3H3,(H,10,13)(H,11,12)
InChIKeySUJCXWARKOSOII-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.20
Rot. Bonds5

About N-methyl-2-(propanoylamino)pent-4-enamide

N-methyl-2-(propanoylamino)pent-4-enamide (PubChem CID 22926605) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-methyl-2-(propanoylamino)pent-4-enamide.

Molecular Properties

Compound NameN-methyl-2-(propanoylamino)pent-4-enamide
PubChem CID22926605
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-methyl-2-(propanoylamino)pent-4-enamide
SMILESC=CCC(NC(=O)CC)C(=O)NC
InChIInChI=1S/C9H16N2O2/c1-4-6-7(9(13)10-3)11-8(12)5-2/h4,7H,1,5-6H2,2-3H3,(H,10,13)(H,11,12)
InChIKeySUJCXWARKOSOII-UHFFFAOYSA-N
XLogP0.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-2-(propanoylamino)pent-4-enamide 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

N-propan-2-ylpent-4-enamide
CID 53840513
N-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]pent-4-enamide
CID 49871353
N-[3-fluoro-1-[(2-nitroso-2-oxoethyl)amino]-1-oxopropan-2-yl]pent-4-enamide
CID 117710264
3-Amino-1,3,4,7,8,9-hexahydro-2h-azonin-2-one
CID 129826304
2-[(6Z)-9-acetamido-1-methyl-3,10-dioxo-2,5,8,9-tetrahydro-1,4-diazecin-4-yl]-N-methylacetamide
CID 134836525
(2R,3S)-2-amino-N-butyl-3-methylpent-4-enamide
CID 134988377
N-[2-(methylamino)-2-oxoethyl]pent-4-enamide
CID 176433233
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pent-4-enamide
CID 81775095
2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pent-4-enamide
CID 81775135
2-amino-N-butyl-N-(2,2,2-trifluoroethyl)pent-4-enamide
CID 81775156
2-amino-N-propyl-N-(2,2,2-trifluoroethyl)pent-4-enamide
CID 81775182
2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pent-4-enamide
CID 81775279

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(propanoylamino)pent-4-enamide?
The IUPAC name of N-methyl-2-(propanoylamino)pent-4-enamide (CID 22926605) is N-methyl-2-(propanoylamino)pent-4-enamide.
What is the SMILES notation for N-methyl-2-(propanoylamino)pent-4-enamide?
The canonical SMILES for N-methyl-2-(propanoylamino)pent-4-enamide is C=CCC(NC(=O)CC)C(=O)NC.
What is the InChIKey of N-methyl-2-(propanoylamino)pent-4-enamide?
The InChIKey is SUJCXWARKOSOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-6-7(9(13)10-3)11-8(12)5-2/h4,7H,1,5-6H2,2-3H3,(H,10,13)(H,11,12).
What are the key properties of N-methyl-2-(propanoylamino)pent-4-enamide?
N-methyl-2-(propanoylamino)pent-4-enamide has a molecular weight of 184.24 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(propanoylamino)pent-4-enamide is sourced from PubChem (CID 22926605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).