3-ethylcyclopenta[b]phosphole

C9H9P — CID 21095451

IUPAC3-ethylcyclopenta[b]phosphole
SMILESCCC1=CP=C2C=CC=C12
InChIInChI=1S/C9H9P/c1-2-7-6-10-9-5-3-4-8(7)9/h3-6H,2H2,1H3
InChIKeyAPZKSFZDACVBGM-UHFFFAOYSA-N
MW148.14 g/mol
LogP2.91
Rot. Bonds1

About 3-ethylcyclopenta[b]phosphole

3-ethylcyclopenta[b]phosphole (PubChem CID 21095451) has the molecular formula C9H9P and a molecular weight of 148.14 g/mol. Its IUPAC name is 3-ethylcyclopenta[b]phosphole.

Molecular Properties

Compound Name3-ethylcyclopenta[b]phosphole
PubChem CID21095451
Molecular FormulaC9H9P
Molecular Weight148.14 g/mol
Exact Mass148.04
IUPAC Name3-ethylcyclopenta[b]phosphole
SMILESCCC1=CP=C2C=CC=C12
InChIInChI=1S/C9H9P/c1-2-7-6-10-9-5-3-4-8(7)9/h3-6H,2H2,1H3
InChIKeyAPZKSFZDACVBGM-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.14
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethylcyclopenta[b]phosphole?
The IUPAC name of 3-ethylcyclopenta[b]phosphole (CID 21095451) is 3-ethylcyclopenta[b]phosphole.
What is the SMILES notation for 3-ethylcyclopenta[b]phosphole?
The canonical SMILES for 3-ethylcyclopenta[b]phosphole is CCC1=CP=C2C=CC=C12.
What is the InChIKey of 3-ethylcyclopenta[b]phosphole?
The InChIKey is APZKSFZDACVBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9P/c1-2-7-6-10-9-5-3-4-8(7)9/h3-6H,2H2,1H3.
What are the key properties of 3-ethylcyclopenta[b]phosphole?
3-ethylcyclopenta[b]phosphole has a molecular weight of 148.14 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylcyclopenta[b]phosphole is sourced from PubChem (CID 21095451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).