1-cyclopropylcubane

C11H12 — CID 10464448

IUPAC1-cyclopropylcubane
SMILESC1CC1C12C3C4C5C3C1C5C42
InChIInChI=1S/C11H12/c1-2-3(1)11-8-5-4-6(8)10(11)7(4)9(5)11/h3-10H,1-2H2
InChIKeySJUFMRQBJLWPFF-UHFFFAOYSA-N
MW144.22 g/mol
LogP1.76
Rot. Bonds1

About 1-cyclopropylcubane

1-cyclopropylcubane (PubChem CID 10464448) has the molecular formula C11H12 and a molecular weight of 144.22 g/mol. Its IUPAC name is 1-cyclopropylcubane.

Molecular Properties

Compound Name1-cyclopropylcubane
PubChem CID10464448
Molecular FormulaC11H12
Molecular Weight144.22 g/mol
Exact Mass144.09
IUPAC Name1-cyclopropylcubane
SMILESC1CC1C12C3C4C5C3C1C5C42
InChIInChI=1S/C11H12/c1-2-3(1)11-8-5-4-6(8)10(11)7(4)9(5)11/h3-10H,1-2H2
InChIKeySJUFMRQBJLWPFF-UHFFFAOYSA-N
XLogP1.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-cyclopropylcubane 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-cyclopropylcubane?
The IUPAC name of 1-cyclopropylcubane (CID 10464448) is 1-cyclopropylcubane.
What is the SMILES notation for 1-cyclopropylcubane?
The canonical SMILES for 1-cyclopropylcubane is C1CC1C12C3C4C5C3C1C5C42.
What is the InChIKey of 1-cyclopropylcubane?
The InChIKey is SJUFMRQBJLWPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12/c1-2-3(1)11-8-5-4-6(8)10(11)7(4)9(5)11/h3-10H,1-2H2.
What are the key properties of 1-cyclopropylcubane?
1-cyclopropylcubane has a molecular weight of 144.22 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylcubane is sourced from PubChem (CID 10464448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).