N-methyl-N-pent-4-enylpropanamide

C9H17NO — CID 115640317

IUPACN-methyl-N-pent-4-enylpropanamide
SMILESC=CCCCN(C)C(=O)CC
InChIInChI=1S/C9H17NO/c1-4-6-7-8-10(3)9(11)5-2/h4H,1,5-8H2,2-3H3
InChIKeyFLBVQAFDEUSZRK-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.82
Rot. Bonds5

About N-methyl-N-pent-4-enylpropanamide

N-methyl-N-pent-4-enylpropanamide (PubChem CID 115640317) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-methyl-N-pent-4-enylpropanamide.

Molecular Properties

Compound NameN-methyl-N-pent-4-enylpropanamide
PubChem CID115640317
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-methyl-N-pent-4-enylpropanamide
SMILESC=CCCCN(C)C(=O)CC
InChIInChI=1S/C9H17NO/c1-4-6-7-8-10(3)9(11)5-2/h4H,1,5-8H2,2-3H3
InChIKeyFLBVQAFDEUSZRK-UHFFFAOYSA-N
XLogP1.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-methyl-N-pent-4-enylacetamide
CID 143214157
4-amino-N,4-dimethyl-N-pent-4-enylpentanamide
CID 115740355
2-amino-N-methyl-N-pent-4-enylbutanamide
CID 115734607
4-[methyl(undec-10-enoyl)amino]butanoic acid
CID 10016696
(2R)-2-amino-N-methyl-N-pent-4-enylpentanamide
CID 103797423
N-methyl-N-(3-trimethoxysilylpropyl)propanamide
CID 87495957
tert-butyl N-methyl-N-pent-4-enylcarbamate
CID 20756745
N-methyl-2-(3-methylazetidin-3-yl)oxy-N-pent-4-enylacetamide
CID 102611697
3,5-dibromo-N-methyl-N-pent-4-enylbenzamide
CID 103908739
(2S)-2-amino-N,3-dimethyl-N-pent-4-enylbutanamide
CID 15511724
N-methyl-N-pent-4-enyl-3-piperidin-4-ylpropanamide
CID 113343495
(2S)-3,3-dimethyl-2-[[2-[methyl(pent-4-enyl)amino]-2-oxoethyl]amino]butanoic acid
CID 149018278

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pent-4-enylpropanamide?
The IUPAC name of N-methyl-N-pent-4-enylpropanamide (CID 115640317) is N-methyl-N-pent-4-enylpropanamide.
What is the SMILES notation for N-methyl-N-pent-4-enylpropanamide?
The canonical SMILES for N-methyl-N-pent-4-enylpropanamide is C=CCCCN(C)C(=O)CC.
What is the InChIKey of N-methyl-N-pent-4-enylpropanamide?
The InChIKey is FLBVQAFDEUSZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-6-7-8-10(3)9(11)5-2/h4H,1,5-8H2,2-3H3.
What are the key properties of N-methyl-N-pent-4-enylpropanamide?
N-methyl-N-pent-4-enylpropanamide has a molecular weight of 155.24 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pent-4-enylpropanamide is sourced from PubChem (CID 115640317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).