N-cyclohexyl-2-cyclopent-2-en-1-ylacetamide

C13H21NO — CID 42891783

IUPACN-cyclohexyl-2-cyclopent-2-en-1-ylacetamide
SMILESO=C(CC1C=CCC1)NC1CCCCC1
InChIInChI=1S/C13H21NO/c15-13(10-11-6-4-5-7-11)14-12-8-2-1-3-9-12/h4,6,11-12H,1-3,5,7-10H2,(H,14,15)
InChIKeyOCPOQHORHNZXEZ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.79
Rot. Bonds3

About N-cyclohexyl-2-cyclopent-2-en-1-ylacetamide

N-cyclohexyl-2-cyclopent-2-en-1-ylacetamide (PubChem CID 42891783) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-cyclohexyl-2-cyclopent-2-en-1-ylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-cyclopent-2-en-1-ylacetamide
PubChem CID42891783
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-cyclohexyl-2-cyclopent-2-en-1-ylacetamide
SMILESO=C(CC1C=CCC1)NC1CCCCC1
InChIInChI=1S/C13H21NO/c15-13(10-11-6-4-5-7-11)14-12-8-2-1-3-9-12/h4,6,11-12H,1-3,5,7-10H2,(H,14,15)
InChIKeyOCPOQHORHNZXEZ-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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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-cyclopent-2-en-1-ylacetamide?
The IUPAC name of N-cyclohexyl-2-cyclopent-2-en-1-ylacetamide (CID 42891783) is N-cyclohexyl-2-cyclopent-2-en-1-ylacetamide.
What is the SMILES notation for N-cyclohexyl-2-cyclopent-2-en-1-ylacetamide?
The canonical SMILES for N-cyclohexyl-2-cyclopent-2-en-1-ylacetamide is O=C(CC1C=CCC1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-cyclopent-2-en-1-ylacetamide?
The InChIKey is OCPOQHORHNZXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c15-13(10-11-6-4-5-7-11)14-12-8-2-1-3-9-12/h4,6,11-12H,1-3,5,7-10H2,(H,14,15).
What are the key properties of N-cyclohexyl-2-cyclopent-2-en-1-ylacetamide?
N-cyclohexyl-2-cyclopent-2-en-1-ylacetamide 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-cyclohexyl-2-cyclopent-2-en-1-ylacetamide is sourced from PubChem (CID 42891783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).