N-methyl-2-(3-oxopropyl)pent-4-enamide

C9H15NO2 — CID 142360160

IUPACN-methyl-2-(3-oxopropyl)pent-4-enamide
SMILESC=CCC(CCC=O)C(=O)NC
InChIInChI=1S/C9H15NO2/c1-3-5-8(6-4-7-11)9(12)10-2/h3,7-8H,1,4-6H2,2H3,(H,10,12)
InChIKeyUCZZPDQUPXMAOU-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.90
Rot. Bonds6

About N-methyl-2-(3-oxopropyl)pent-4-enamide

N-methyl-2-(3-oxopropyl)pent-4-enamide (PubChem CID 142360160) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-methyl-2-(3-oxopropyl)pent-4-enamide.

Molecular Properties

Compound NameN-methyl-2-(3-oxopropyl)pent-4-enamide
PubChem CID142360160
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-methyl-2-(3-oxopropyl)pent-4-enamide
SMILESC=CCC(CCC=O)C(=O)NC
InChIInChI=1S/C9H15NO2/c1-3-5-8(6-4-7-11)9(12)10-2/h3,7-8H,1,4-6H2,2H3,(H,10,12)
InChIKeyUCZZPDQUPXMAOU-UHFFFAOYSA-N
XLogP0.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N-methyl-5-oxopentanamide
CID 145371597
N-methyl-2-(2-oxopropyl)pent-4-enamide
CID 158794186
N,4-dimethyl-2-prop-2-enylpent-4-enamide
CID 89102883
2-[[ethyl(methyl)amino]methyl]-N-methyl-5-oxopentanamide
CID 143767998
N,2-dimethyl-5-oxopentanamide
CID 20693317
4-but-3-enoylheptanedial
CID 173325048
2-[formyl(methyl)amino]-N-methyl-5-oxopentanamide
CID 142365578
methyl 2-ethyl-5-oxopentanoate
CID 10997312
3-propylhex-5-en-2-one
CID 87772070
3-ethylhex-5-en-2-one
CID 58995117
methyl 2-(2-deuterioethyl)-5-oxopentanoate
CID 58697694
3-(3-methoxypropyl)hex-5-en-2-one
CID 59857922

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-oxopropyl)pent-4-enamide?
The IUPAC name of N-methyl-2-(3-oxopropyl)pent-4-enamide (CID 142360160) is N-methyl-2-(3-oxopropyl)pent-4-enamide.
What is the SMILES notation for N-methyl-2-(3-oxopropyl)pent-4-enamide?
The canonical SMILES for N-methyl-2-(3-oxopropyl)pent-4-enamide is C=CCC(CCC=O)C(=O)NC.
What is the InChIKey of N-methyl-2-(3-oxopropyl)pent-4-enamide?
The InChIKey is UCZZPDQUPXMAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-5-8(6-4-7-11)9(12)10-2/h3,7-8H,1,4-6H2,2H3,(H,10,12).
What are the key properties of N-methyl-2-(3-oxopropyl)pent-4-enamide?
N-methyl-2-(3-oxopropyl)pent-4-enamide has a molecular weight of 169.22 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-oxopropyl)pent-4-enamide is sourced from PubChem (CID 142360160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).