N-(cyclohexen-1-ylmethyl)cyclopentanecarboxamide

C13H21NO — CID 100542242

IUPACN-(cyclohexen-1-ylmethyl)cyclopentanecarboxamide
SMILESO=C(NCC1=CCCCC1)C1CCCC1
InChIInChI=1S/C13H21NO/c15-13(12-8-4-5-9-12)14-10-11-6-2-1-3-7-11/h6,12H,1-5,7-10H2,(H,14,15)
InChIKeyQSGRQEULJNEVOO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.79
Rot. Bonds3

About N-(cyclohexen-1-ylmethyl)cyclopentanecarboxamide

N-(cyclohexen-1-ylmethyl)cyclopentanecarboxamide (PubChem CID 100542242) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-(cyclohexen-1-ylmethyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(cyclohexen-1-ylmethyl)cyclopentanecarboxamide
PubChem CID100542242
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-(cyclohexen-1-ylmethyl)cyclopentanecarboxamide
SMILESO=C(NCC1=CCCCC1)C1CCCC1
InChIInChI=1S/C13H21NO/c15-13(12-8-4-5-9-12)14-10-11-6-2-1-3-7-11/h6,12H,1-5,7-10H2,(H,14,15)
InChIKeyQSGRQEULJNEVOO-UHFFFAOYSA-N
XLogP2.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-(cyclohexen-1-ylmethyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 97124896
N-(cyclohexen-1-ylmethyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 70733611
(3R)-N-(cyclohexen-1-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 97274269
N-(cyclohexen-1-ylmethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 70713492
4-N-cycloheptyl-1-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109146382
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-cyclohexylcyclohexane-1,4-dicarboxamide
CID 109146079
N-[2-(cyclohexen-1-yl)ethyl]thiane-4-carboxamide
CID 110849147
N-(cyclohexen-1-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 133239605
1-(cyclobutanecarbonyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 113003190
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144460
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146360
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109146362

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-ylmethyl)cyclopentanecarboxamide?
The IUPAC name of N-(cyclohexen-1-ylmethyl)cyclopentanecarboxamide (CID 100542242) is N-(cyclohexen-1-ylmethyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(cyclohexen-1-ylmethyl)cyclopentanecarboxamide?
The canonical SMILES for N-(cyclohexen-1-ylmethyl)cyclopentanecarboxamide is O=C(NCC1=CCCCC1)C1CCCC1.
What is the InChIKey of N-(cyclohexen-1-ylmethyl)cyclopentanecarboxamide?
The InChIKey is QSGRQEULJNEVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c15-13(12-8-4-5-9-12)14-10-11-6-2-1-3-7-11/h6,12H,1-5,7-10H2,(H,14,15).
What are the key properties of N-(cyclohexen-1-ylmethyl)cyclopentanecarboxamide?
N-(cyclohexen-1-ylmethyl)cyclopentanecarboxamide has a molecular weight of 207.32 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-ylmethyl)cyclopentanecarboxamide is sourced from PubChem (CID 100542242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).