2-cyclopentylbicyclo[2.2.1]heptane-2-carbaldehyde

C13H20O — CID 130743522

IUPAC2-cyclopentylbicyclo[2.2.1]heptane-2-carbaldehyde
SMILESO=CC1(C2CCCC2)CC2CCC1C2
InChIInChI=1S/C13H20O/c14-9-13(11-3-1-2-4-11)8-10-5-6-12(13)7-10/h9-12H,1-8H2
InChIKeyQVPBXABIVDXXPY-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.18
Rot. Bonds2

About 2-cyclopentylbicyclo[2.2.1]heptane-2-carbaldehyde

2-cyclopentylbicyclo[2.2.1]heptane-2-carbaldehyde (PubChem CID 130743522) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 2-cyclopentylbicyclo[2.2.1]heptane-2-carbaldehyde.

Molecular Properties

Compound Name2-cyclopentylbicyclo[2.2.1]heptane-2-carbaldehyde
PubChem CID130743522
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name2-cyclopentylbicyclo[2.2.1]heptane-2-carbaldehyde
SMILESO=CC1(C2CCCC2)CC2CCC1C2
InChIInChI=1S/C13H20O/c14-9-13(11-3-1-2-4-11)8-10-5-6-12(13)7-10/h9-12H,1-8H2
InChIKeyQVPBXABIVDXXPY-UHFFFAOYSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-cyclopentylbicyclo[2.2.1]heptane-2-carbaldehyde 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 2-cyclopentylbicyclo[2.2.1]heptane-2-carbaldehyde?
The IUPAC name of 2-cyclopentylbicyclo[2.2.1]heptane-2-carbaldehyde (CID 130743522) is 2-cyclopentylbicyclo[2.2.1]heptane-2-carbaldehyde.
What is the SMILES notation for 2-cyclopentylbicyclo[2.2.1]heptane-2-carbaldehyde?
The canonical SMILES for 2-cyclopentylbicyclo[2.2.1]heptane-2-carbaldehyde is O=CC1(C2CCCC2)CC2CCC1C2.
What is the InChIKey of 2-cyclopentylbicyclo[2.2.1]heptane-2-carbaldehyde?
The InChIKey is QVPBXABIVDXXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c14-9-13(11-3-1-2-4-11)8-10-5-6-12(13)7-10/h9-12H,1-8H2.
What are the key properties of 2-cyclopentylbicyclo[2.2.1]heptane-2-carbaldehyde?
2-cyclopentylbicyclo[2.2.1]heptane-2-carbaldehyde has a molecular weight of 192.30 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylbicyclo[2.2.1]heptane-2-carbaldehyde is sourced from PubChem (CID 130743522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).