N-(2-cyclopropyl-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide

C13H21NO2 — CID 71796730

IUPACN-(2-cyclopropyl-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide
SMILESCC(O)(CNC(=O)C1CC=CCC1)C1CC1
InChIInChI=1S/C13H21NO2/c1-13(16,11-7-8-11)9-14-12(15)10-5-3-2-4-6-10/h2-3,10-11,16H,4-9H2,1H3,(H,14,15)
InChIKeyVVSHNZCLNMWVED-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.62
Rot. Bonds4

About N-(2-cyclopropyl-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide

N-(2-cyclopropyl-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide (PubChem CID 71796730) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide
PubChem CID71796730
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-(2-cyclopropyl-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide
SMILESCC(O)(CNC(=O)C1CC=CCC1)C1CC1
InChIInChI=1S/C13H21NO2/c1-13(16,11-7-8-11)9-14-12(15)10-5-3-2-4-6-10/h2-3,10-11,16H,4-9H2,1H3,(H,14,15)
InChIKeyVVSHNZCLNMWVED-UHFFFAOYSA-N
XLogP1.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-cyclopropyl-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide (CID 71796730) is N-(2-cyclopropyl-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide is CC(O)(CNC(=O)C1CC=CCC1)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is VVSHNZCLNMWVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-13(16,11-7-8-11)9-14-12(15)10-5-3-2-4-6-10/h2-3,10-11,16H,4-9H2,1H3,(H,14,15).
What are the key properties of N-(2-cyclopropyl-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide?
N-(2-cyclopropyl-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxypropyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 71796730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).