4-(6-bicyclo[3.2.0]hept-3-enylamino)cyclohexan-1-ol

C13H21NO — CID 43222933

IUPAC4-(6-bicyclo[3.2.0]hept-3-enylamino)cyclohexan-1-ol
SMILESOC1CCC(NC2CC3CC=CC32)CC1
InChIInChI=1S/C13H21NO/c15-11-6-4-10(5-7-11)14-13-8-9-2-1-3-12(9)13/h1,3,9-15H,2,4-8H2
InChIKeyCSOWKEZZYFZHBJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.84
Rot. Bonds2

About 4-(6-bicyclo[3.2.0]hept-3-enylamino)cyclohexan-1-ol

4-(6-bicyclo[3.2.0]hept-3-enylamino)cyclohexan-1-ol (PubChem CID 43222933) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(6-bicyclo[3.2.0]hept-3-enylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(6-bicyclo[3.2.0]hept-3-enylamino)cyclohexan-1-ol
PubChem CID43222933
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-(6-bicyclo[3.2.0]hept-3-enylamino)cyclohexan-1-ol
SMILESOC1CCC(NC2CC3CC=CC32)CC1
InChIInChI=1S/C13H21NO/c15-11-6-4-10(5-7-11)14-13-8-9-2-1-3-12(9)13/h1,3,9-15H,2,4-8H2
InChIKeyCSOWKEZZYFZHBJ-UHFFFAOYSA-N
XLogP1.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(6-bicyclo[3.2.0]hept-3-enylamino)cyclohexan-1-ol 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 4-(6-bicyclo[3.2.0]hept-3-enylamino)cyclohexan-1-ol?
The IUPAC name of 4-(6-bicyclo[3.2.0]hept-3-enylamino)cyclohexan-1-ol (CID 43222933) is 4-(6-bicyclo[3.2.0]hept-3-enylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-(6-bicyclo[3.2.0]hept-3-enylamino)cyclohexan-1-ol?
The canonical SMILES for 4-(6-bicyclo[3.2.0]hept-3-enylamino)cyclohexan-1-ol is OC1CCC(NC2CC3CC=CC32)CC1.
What is the InChIKey of 4-(6-bicyclo[3.2.0]hept-3-enylamino)cyclohexan-1-ol?
The InChIKey is CSOWKEZZYFZHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c15-11-6-4-10(5-7-11)14-13-8-9-2-1-3-12(9)13/h1,3,9-15H,2,4-8H2.
What are the key properties of 4-(6-bicyclo[3.2.0]hept-3-enylamino)cyclohexan-1-ol?
4-(6-bicyclo[3.2.0]hept-3-enylamino)cyclohexan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bicyclo[3.2.0]hept-3-enylamino)cyclohexan-1-ol is sourced from PubChem (CID 43222933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).