N-[1-(hydroxymethyl)cyclopentyl]cyclohex-3-ene-1-carboxamide

C13H21NO2 — CID 62517333

IUPACN-[1-(hydroxymethyl)cyclopentyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NC1(CO)CCCC1)C1CC=CCC1
InChIInChI=1S/C13H21NO2/c15-10-13(8-4-5-9-13)14-12(16)11-6-2-1-3-7-11/h1-2,11,15H,3-10H2,(H,14,16)
InChIKeyDHGXXEPIUKJRRF-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.76
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclopentyl]cyclohex-3-ene-1-carboxamide

N-[1-(hydroxymethyl)cyclopentyl]cyclohex-3-ene-1-carboxamide (PubChem CID 62517333) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]cyclohex-3-ene-1-carboxamide
PubChem CID62517333
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NC1(CO)CCCC1)C1CC=CCC1
InChIInChI=1S/C13H21NO2/c15-10-13(8-4-5-9-13)14-12(16)11-6-2-1-3-7-11/h1-2,11,15H,3-10H2,(H,14,16)
InChIKeyDHGXXEPIUKJRRF-UHFFFAOYSA-N
XLogP1.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[1-(hydroxymethyl)cyclopentyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]cyclohex-3-ene-1-carboxamide (CID 62517333) is N-[1-(hydroxymethyl)cyclopentyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]cyclohex-3-ene-1-carboxamide is O=C(NC1(CO)CCCC1)C1CC=CCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is DHGXXEPIUKJRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c15-10-13(8-4-5-9-13)14-12(16)11-6-2-1-3-7-11/h1-2,11,15H,3-10H2,(H,14,16).
What are the key properties of N-[1-(hydroxymethyl)cyclopentyl]cyclohex-3-ene-1-carboxamide?
N-[1-(hydroxymethyl)cyclopentyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopentyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 62517333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).