3,4,5-triethylcyclopenta[c]phosphole

C13H17P — CID 21095834

IUPAC3,4,5-triethylcyclopenta[c]phosphole
SMILESCCC1=C(CC)C2=C(CC)P=CC2=C1
InChIInChI=1S/C13H17P/c1-4-9-7-10-8-14-12(6-3)13(10)11(9)5-2/h7-8H,4-6H2,1-3H3
InChIKeyOAEKCRQPFFGDBX-UHFFFAOYSA-N
MW204.25 g/mol
LogP4.47
Rot. Bonds3

About 3,4,5-triethylcyclopenta[c]phosphole

3,4,5-triethylcyclopenta[c]phosphole (PubChem CID 21095834) has the molecular formula C13H17P and a molecular weight of 204.25 g/mol. Its IUPAC name is 3,4,5-triethylcyclopenta[c]phosphole.

Molecular Properties

Compound Name3,4,5-triethylcyclopenta[c]phosphole
PubChem CID21095834
Molecular FormulaC13H17P
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name3,4,5-triethylcyclopenta[c]phosphole
SMILESCCC1=C(CC)C2=C(CC)P=CC2=C1
InChIInChI=1S/C13H17P/c1-4-9-7-10-8-14-12(6-3)13(10)11(9)5-2/h7-8H,4-6H2,1-3H3
InChIKeyOAEKCRQPFFGDBX-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,4,5-triethylcyclopenta[c]phosphole 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 3,4,5-triethylcyclopenta[c]phosphole?
The IUPAC name of 3,4,5-triethylcyclopenta[c]phosphole (CID 21095834) is 3,4,5-triethylcyclopenta[c]phosphole.
What is the SMILES notation for 3,4,5-triethylcyclopenta[c]phosphole?
The canonical SMILES for 3,4,5-triethylcyclopenta[c]phosphole is CCC1=C(CC)C2=C(CC)P=CC2=C1.
What is the InChIKey of 3,4,5-triethylcyclopenta[c]phosphole?
The InChIKey is OAEKCRQPFFGDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17P/c1-4-9-7-10-8-14-12(6-3)13(10)11(9)5-2/h7-8H,4-6H2,1-3H3.
What are the key properties of 3,4,5-triethylcyclopenta[c]phosphole?
3,4,5-triethylcyclopenta[c]phosphole has a molecular weight of 204.25 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethylcyclopenta[c]phosphole is sourced from PubChem (CID 21095834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).