N-benzyl-2-cyclopentylidene-N-methylacetamide

C15H19NO — CID 102080242

IUPACN-benzyl-2-cyclopentylidene-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)C=C1CCCC1
InChIInChI=1S/C15H19NO/c1-16(12-14-9-3-2-4-10-14)15(17)11-13-7-5-6-8-13/h2-4,9-11H,5-8,12H2,1H3
InChIKeyWIJHFVXIIDIXMP-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.15
Rot. Bonds3

About N-benzyl-2-cyclopentylidene-N-methylacetamide

N-benzyl-2-cyclopentylidene-N-methylacetamide (PubChem CID 102080242) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-benzyl-2-cyclopentylidene-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-cyclopentylidene-N-methylacetamide
PubChem CID102080242
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-benzyl-2-cyclopentylidene-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)C=C1CCCC1
InChIInChI=1S/C15H19NO/c1-16(12-14-9-3-2-4-10-14)15(17)11-13-7-5-6-8-13/h2-4,9-11H,5-8,12H2,1H3
InChIKeyWIJHFVXIIDIXMP-UHFFFAOYSA-N
XLogP3.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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N-benzyl-N-methyl-2-pyrrolidin-1-ium-1-ylacetamide
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3-[benzyl(methyl)amino]-2,3-dioxopropanoic acid
CID 130891258
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
N-benzyl-1-hydroxy-N-methylcyclohexane-1-carboxamide
CID 71857199
carbonic acid;N,N-dimethyl-1-phenylmethanamine
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1-benzyl-3-(cyclohexylidenemethyl)-1-(2-hydroxyethyl)urea
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CID 15890511

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-cyclopentylidene-N-methylacetamide?
The IUPAC name of N-benzyl-2-cyclopentylidene-N-methylacetamide (CID 102080242) is N-benzyl-2-cyclopentylidene-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-cyclopentylidene-N-methylacetamide?
The canonical SMILES for N-benzyl-2-cyclopentylidene-N-methylacetamide is CN(Cc1ccccc1)C(=O)C=C1CCCC1.
What is the InChIKey of N-benzyl-2-cyclopentylidene-N-methylacetamide?
The InChIKey is WIJHFVXIIDIXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-16(12-14-9-3-2-4-10-14)15(17)11-13-7-5-6-8-13/h2-4,9-11H,5-8,12H2,1H3.
What are the key properties of N-benzyl-2-cyclopentylidene-N-methylacetamide?
N-benzyl-2-cyclopentylidene-N-methylacetamide has a molecular weight of 229.32 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-cyclopentylidene-N-methylacetamide is sourced from PubChem (CID 102080242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).