N-[(4-hydroxyoxan-4-yl)methyl]cyclohex-3-ene-1-carboxamide

C13H21NO3 — CID 71796871

IUPACN-[(4-hydroxyoxan-4-yl)methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC1(O)CCOCC1)C1CC=CCC1
InChIInChI=1S/C13H21NO3/c15-12(11-4-2-1-3-5-11)14-10-13(16)6-8-17-9-7-13/h1-2,11,16H,3-10H2,(H,14,15)
InChIKeyMGSIBXXIRWPMFY-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.00
Rot. Bonds3

About N-[(4-hydroxyoxan-4-yl)methyl]cyclohex-3-ene-1-carboxamide

N-[(4-hydroxyoxan-4-yl)methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 71796871) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]cyclohex-3-ene-1-carboxamide
PubChem CID71796871
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC1(O)CCOCC1)C1CC=CCC1
InChIInChI=1S/C13H21NO3/c15-12(11-4-2-1-3-5-11)14-10-13(16)6-8-17-9-7-13/h1-2,11,16H,3-10H2,(H,14,15)
InChIKeyMGSIBXXIRWPMFY-UHFFFAOYSA-N
XLogP1.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4-hydroxyoxan-4-yl)methyl]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-[(4-hydroxyoxan-4-yl)methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]cyclohex-3-ene-1-carboxamide (CID 71796871) is N-[(4-hydroxyoxan-4-yl)methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]cyclohex-3-ene-1-carboxamide is O=C(NCC1(O)CCOCC1)C1CC=CCC1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is MGSIBXXIRWPMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c15-12(11-4-2-1-3-5-11)14-10-13(16)6-8-17-9-7-13/h1-2,11,16H,3-10H2,(H,14,15).
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]cyclohex-3-ene-1-carboxamide?
N-[(4-hydroxyoxan-4-yl)methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 239.31 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 71796871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).