N-[2-(furan-3-yl)ethyl]cyclohex-3-ene-1-carboxamide

C13H17NO2 — CID 71798485

IUPACN-[2-(furan-3-yl)ethyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCCc1ccoc1)C1CC=CCC1
InChIInChI=1S/C13H17NO2/c15-13(12-4-2-1-3-5-12)14-8-6-11-7-9-16-10-11/h1-2,7,9-10,12H,3-6,8H2,(H,14,15)
InChIKeyGUHNZHFNMVGKAZ-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.29
Rot. Bonds4

About N-[2-(furan-3-yl)ethyl]cyclohex-3-ene-1-carboxamide

N-[2-(furan-3-yl)ethyl]cyclohex-3-ene-1-carboxamide (PubChem CID 71798485) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-[2-(furan-3-yl)ethyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-3-yl)ethyl]cyclohex-3-ene-1-carboxamide
PubChem CID71798485
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-[2-(furan-3-yl)ethyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCCc1ccoc1)C1CC=CCC1
InChIInChI=1S/C13H17NO2/c15-13(12-4-2-1-3-5-12)14-8-6-11-7-9-16-10-11/h1-2,7,9-10,12H,3-6,8H2,(H,14,15)
InChIKeyGUHNZHFNMVGKAZ-UHFFFAOYSA-N
XLogP2.29
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(furan-3-yl)ethyl]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-(furan-3-yl)ethyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[2-(furan-3-yl)ethyl]cyclohex-3-ene-1-carboxamide (CID 71798485) is N-[2-(furan-3-yl)ethyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[2-(furan-3-yl)ethyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[2-(furan-3-yl)ethyl]cyclohex-3-ene-1-carboxamide is O=C(NCCc1ccoc1)C1CC=CCC1.
What is the InChIKey of N-[2-(furan-3-yl)ethyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is GUHNZHFNMVGKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-13(12-4-2-1-3-5-12)14-8-6-11-7-9-16-10-11/h1-2,7,9-10,12H,3-6,8H2,(H,14,15).
What are the key properties of N-[2-(furan-3-yl)ethyl]cyclohex-3-ene-1-carboxamide?
N-[2-(furan-3-yl)ethyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 219.28 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-3-yl)ethyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 71798485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).