4-cyclobutylbicyclo[6.1.0]nonane

C13H22 — CID 123166023

IUPAC4-cyclobutylbicyclo[6.1.0]nonane
SMILESC1CC(C2CCCC3CC3CC2)C1
InChIInChI=1S/C13H22/c1-3-10(4-1)11-5-2-6-12-9-13(12)8-7-11/h10-13H,1-9H2
InChIKeyGMOHRIFBYTXPRY-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.00
Rot. Bonds1

About 4-cyclobutylbicyclo[6.1.0]nonane

4-cyclobutylbicyclo[6.1.0]nonane (PubChem CID 123166023) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 4-cyclobutylbicyclo[6.1.0]nonane.

Molecular Properties

Compound Name4-cyclobutylbicyclo[6.1.0]nonane
PubChem CID123166023
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name4-cyclobutylbicyclo[6.1.0]nonane
SMILESC1CC(C2CCCC3CC3CC2)C1
InChIInChI=1S/C13H22/c1-3-10(4-1)11-5-2-6-12-9-13(12)8-7-11/h10-13H,1-9H2
InChIKeyGMOHRIFBYTXPRY-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-cyclobutylbicyclo[6.1.0]nonane with MolForge

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

Launch Full Analysis

Related Compounds

Bicyclo[6.1.0]nonane
CID 136124
cis-Bicyclo(6.1.0)nonane
CID 6432084
Bicyclo[7.2.0]undecane
CID 18969257
9-Methylbicyclo[6.1.0]nonane
CID 12870201
(+)-trans-Bicyclo[6.1.0]nonane
CID 12502931
anti-Tricyclo[7.1.0.0]decane
CID 144972
Pentacyclo[9.1.0.02,4.05,7.08,10]dodecane
CID 13513395
Cyclopropylcyclooctane
CID 54468251
Cyclopropylcyclononane
CID 91114630
3-Pentan-2-ylbicyclo[6.1.0]nonane
CID 91542239
2-Methylbicyclo[6.1.0]nonane
CID 91945096
4-Methylbicyclo[6.1.0]nonane
CID 91945097

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutylbicyclo[6.1.0]nonane?
The IUPAC name of 4-cyclobutylbicyclo[6.1.0]nonane (CID 123166023) is 4-cyclobutylbicyclo[6.1.0]nonane.
What is the SMILES notation for 4-cyclobutylbicyclo[6.1.0]nonane?
The canonical SMILES for 4-cyclobutylbicyclo[6.1.0]nonane is C1CC(C2CCCC3CC3CC2)C1.
What is the InChIKey of 4-cyclobutylbicyclo[6.1.0]nonane?
The InChIKey is GMOHRIFBYTXPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-3-10(4-1)11-5-2-6-12-9-13(12)8-7-11/h10-13H,1-9H2.
What are the key properties of 4-cyclobutylbicyclo[6.1.0]nonane?
4-cyclobutylbicyclo[6.1.0]nonane has a molecular weight of 178.32 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutylbicyclo[6.1.0]nonane is sourced from PubChem (CID 123166023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).