1-(2-butylcyclopropyl)-5-methylbicyclo[2.1.0]pentane

C13H22 — CID 90870034

IUPAC1-(2-butylcyclopropyl)-5-methylbicyclo[2.1.0]pentane
SMILESCCCCC1CC1C12CCC1C2C
InChIInChI=1S/C13H22/c1-3-4-5-10-8-12(10)13-7-6-11(13)9(13)2/h9-12H,3-8H2,1-2H3
InChIKeyLLFFGIRYKZDTTB-UHFFFAOYSA-N
MW178.32 g/mol
LogP3.86
Rot. Bonds4

About 1-(2-butylcyclopropyl)-5-methylbicyclo[2.1.0]pentane

1-(2-butylcyclopropyl)-5-methylbicyclo[2.1.0]pentane (PubChem CID 90870034) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 1-(2-butylcyclopropyl)-5-methylbicyclo[2.1.0]pentane.

Molecular Properties

Compound Name1-(2-butylcyclopropyl)-5-methylbicyclo[2.1.0]pentane
PubChem CID90870034
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name1-(2-butylcyclopropyl)-5-methylbicyclo[2.1.0]pentane
SMILESCCCCC1CC1C12CCC1C2C
InChIInChI=1S/C13H22/c1-3-4-5-10-8-12(10)13-7-6-11(13)9(13)2/h9-12H,3-8H2,1-2H3
InChIKeyLLFFGIRYKZDTTB-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(2-butylcyclopropyl)-5-methylbicyclo[2.1.0]pentane 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 1-(2-butylcyclopropyl)-5-methylbicyclo[2.1.0]pentane?
The IUPAC name of 1-(2-butylcyclopropyl)-5-methylbicyclo[2.1.0]pentane (CID 90870034) is 1-(2-butylcyclopropyl)-5-methylbicyclo[2.1.0]pentane.
What is the SMILES notation for 1-(2-butylcyclopropyl)-5-methylbicyclo[2.1.0]pentane?
The canonical SMILES for 1-(2-butylcyclopropyl)-5-methylbicyclo[2.1.0]pentane is CCCCC1CC1C12CCC1C2C.
What is the InChIKey of 1-(2-butylcyclopropyl)-5-methylbicyclo[2.1.0]pentane?
The InChIKey is LLFFGIRYKZDTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-3-4-5-10-8-12(10)13-7-6-11(13)9(13)2/h9-12H,3-8H2,1-2H3.
What are the key properties of 1-(2-butylcyclopropyl)-5-methylbicyclo[2.1.0]pentane?
1-(2-butylcyclopropyl)-5-methylbicyclo[2.1.0]pentane has a molecular weight of 178.32 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butylcyclopropyl)-5-methylbicyclo[2.1.0]pentane is sourced from PubChem (CID 90870034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).