3,4-diethylcyclopenta[b]phosphole

C11H13P — CID 21095341

IUPAC3,4-diethylcyclopenta[b]phosphole
SMILESCCC1=CP=C2C=CC(CC)=C12
InChIInChI=1S/C11H13P/c1-3-8-5-6-10-11(8)9(4-2)7-12-10/h5-7H,3-4H2,1-2H3
InChIKeyYRTQDXNQWTXEDU-UHFFFAOYSA-N
MW176.20 g/mol
LogP3.69
Rot. Bonds2

About 3,4-diethylcyclopenta[b]phosphole

3,4-diethylcyclopenta[b]phosphole (PubChem CID 21095341) has the molecular formula C11H13P and a molecular weight of 176.20 g/mol. Its IUPAC name is 3,4-diethylcyclopenta[b]phosphole.

Molecular Properties

Compound Name3,4-diethylcyclopenta[b]phosphole
PubChem CID21095341
Molecular FormulaC11H13P
Molecular Weight176.20 g/mol
Exact Mass176.08
IUPAC Name3,4-diethylcyclopenta[b]phosphole
SMILESCCC1=CP=C2C=CC(CC)=C12
InChIInChI=1S/C11H13P/c1-3-8-5-6-10-11(8)9(4-2)7-12-10/h5-7H,3-4H2,1-2H3
InChIKeyYRTQDXNQWTXEDU-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 53.69
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 3,4-diethylcyclopenta[b]phosphole?
The IUPAC name of 3,4-diethylcyclopenta[b]phosphole (CID 21095341) is 3,4-diethylcyclopenta[b]phosphole.
What is the SMILES notation for 3,4-diethylcyclopenta[b]phosphole?
The canonical SMILES for 3,4-diethylcyclopenta[b]phosphole is CCC1=CP=C2C=CC(CC)=C12.
What is the InChIKey of 3,4-diethylcyclopenta[b]phosphole?
The InChIKey is YRTQDXNQWTXEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13P/c1-3-8-5-6-10-11(8)9(4-2)7-12-10/h5-7H,3-4H2,1-2H3.
What are the key properties of 3,4-diethylcyclopenta[b]phosphole?
3,4-diethylcyclopenta[b]phosphole has a molecular weight of 176.20 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethylcyclopenta[b]phosphole is sourced from PubChem (CID 21095341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).