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

C9H15NO2 — CID 158794186

IUPACN-methyl-2-(2-oxopropyl)pent-4-enamide
SMILESC=CCC(CC(C)=O)C(=O)NC
InChIInChI=1S/C9H15NO2/c1-4-5-8(6-7(2)11)9(12)10-3/h4,8H,1,5-6H2,2-3H3,(H,10,12)
InChIKeyWMSWZPZRQDBCRQ-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.90
Rot. Bonds5

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

N-methyl-2-(2-oxopropyl)pent-4-enamide (PubChem CID 158794186) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-methyl-2-(2-oxopropyl)pent-4-enamide.

Molecular Properties

Compound NameN-methyl-2-(2-oxopropyl)pent-4-enamide
PubChem CID158794186
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-methyl-2-(2-oxopropyl)pent-4-enamide
SMILESC=CCC(CC(C)=O)C(=O)NC
InChIInChI=1S/C9H15NO2/c1-4-5-8(6-7(2)11)9(12)10-3/h4,8H,1,5-6H2,2-3H3,(H,10,12)
InChIKeyWMSWZPZRQDBCRQ-UHFFFAOYSA-N
XLogP0.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methylcyclohex-3-ene-1-carboxamide
CID 2780388
(2R)-N-methyl-2-propylpent-4-enamide
CID 21345659
N-methyl-2-propylpent-4-enamide
CID 22452455
N,2-dimethyl-3-methylidene-4-oxopentanamide
CID 23452254
N-(2-methylpropyl)-2-prop-2-enylbutanediamide
CID 57301006
6-acetyl-N-ethylcyclohex-3-ene-1-carboxamide
CID 58728406
6-acetyl-N-methylcyclohex-3-ene-1-carboxamide
CID 58728427
2-N-methylcyclohex-4-ene-1,2-dicarboxamide
CID 68669248
N,4-dimethyloct-7-enamide
CID 88284483
(2S)-2-but-3-enyl-N'-ethylbutanediamide
CID 88297446
(2S)-N'-ethyl-2-prop-2-enylbutanediamide
CID 88297653
(2S)-N'-ethyl-3-propan-2-yl-2-prop-2-enylbutanediamide
CID 88298018

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-oxopropyl)pent-4-enamide?
The IUPAC name of N-methyl-2-(2-oxopropyl)pent-4-enamide (CID 158794186) is N-methyl-2-(2-oxopropyl)pent-4-enamide.
What is the SMILES notation for N-methyl-2-(2-oxopropyl)pent-4-enamide?
The canonical SMILES for N-methyl-2-(2-oxopropyl)pent-4-enamide is C=CCC(CC(C)=O)C(=O)NC.
What is the InChIKey of N-methyl-2-(2-oxopropyl)pent-4-enamide?
The InChIKey is WMSWZPZRQDBCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-5-8(6-7(2)11)9(12)10-3/h4,8H,1,5-6H2,2-3H3,(H,10,12).
What are the key properties of N-methyl-2-(2-oxopropyl)pent-4-enamide?
N-methyl-2-(2-oxopropyl)pent-4-enamide has a molecular weight of 169.22 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-oxopropyl)pent-4-enamide is sourced from PubChem (CID 158794186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).