N-(cyclohex-3-en-1-ylmethyl)-5-hydroxypentanamide

C12H21NO2 — CID 79208936

IUPACN-(cyclohex-3-en-1-ylmethyl)-5-hydroxypentanamide
SMILESO=C(CCCCO)NCC1CC=CCC1
InChIInChI=1S/C12H21NO2/c14-9-5-4-8-12(15)13-10-11-6-2-1-3-7-11/h1-2,11,14H,3-10H2,(H,13,15)
InChIKeyJBFOABHQFAWFKB-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.62
Rot. Bonds6

About N-(cyclohex-3-en-1-ylmethyl)-5-hydroxypentanamide

N-(cyclohex-3-en-1-ylmethyl)-5-hydroxypentanamide (PubChem CID 79208936) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-5-hydroxypentanamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-5-hydroxypentanamide
PubChem CID79208936
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-5-hydroxypentanamide
SMILESO=C(CCCCO)NCC1CC=CCC1
InChIInChI=1S/C12H21NO2/c14-9-5-4-8-12(15)13-10-11-6-2-1-3-7-11/h1-2,11,14H,3-10H2,(H,13,15)
InChIKeyJBFOABHQFAWFKB-UHFFFAOYSA-N
XLogP1.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-5-hydroxypentanamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-5-hydroxypentanamide (CID 79208936) is N-(cyclohex-3-en-1-ylmethyl)-5-hydroxypentanamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-5-hydroxypentanamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-5-hydroxypentanamide is O=C(CCCCO)NCC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-5-hydroxypentanamide?
The InChIKey is JBFOABHQFAWFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-9-5-4-8-12(15)13-10-11-6-2-1-3-7-11/h1-2,11,14H,3-10H2,(H,13,15).
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-5-hydroxypentanamide?
N-(cyclohex-3-en-1-ylmethyl)-5-hydroxypentanamide has a molecular weight of 211.30 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-5-hydroxypentanamide is sourced from PubChem (CID 79208936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).