3,4-dipropylcyclopenta[b]phosphole

C13H17P — CID 21095411

IUPAC3,4-dipropylcyclopenta[b]phosphole
SMILESCCCC1=CP=C2C=CC(CCC)=C12
InChIInChI=1S/C13H17P/c1-3-5-10-7-8-12-13(10)11(6-4-2)9-14-12/h7-9H,3-6H2,1-2H3
InChIKeyLAJMJZCFIKSGCB-UHFFFAOYSA-N
MW204.25 g/mol
LogP4.47
Rot. Bonds4

About 3,4-dipropylcyclopenta[b]phosphole

3,4-dipropylcyclopenta[b]phosphole (PubChem CID 21095411) has the molecular formula C13H17P and a molecular weight of 204.25 g/mol. Its IUPAC name is 3,4-dipropylcyclopenta[b]phosphole.

Molecular Properties

Compound Name3,4-dipropylcyclopenta[b]phosphole
PubChem CID21095411
Molecular FormulaC13H17P
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name3,4-dipropylcyclopenta[b]phosphole
SMILESCCCC1=CP=C2C=CC(CCC)=C12
InChIInChI=1S/C13H17P/c1-3-5-10-7-8-12-13(10)11(6-4-2)9-14-12/h7-9H,3-6H2,1-2H3
InChIKeyLAJMJZCFIKSGCB-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dipropylcyclopenta[b]phosphole?
The IUPAC name of 3,4-dipropylcyclopenta[b]phosphole (CID 21095411) is 3,4-dipropylcyclopenta[b]phosphole.
What is the SMILES notation for 3,4-dipropylcyclopenta[b]phosphole?
The canonical SMILES for 3,4-dipropylcyclopenta[b]phosphole is CCCC1=CP=C2C=CC(CCC)=C12.
What is the InChIKey of 3,4-dipropylcyclopenta[b]phosphole?
The InChIKey is LAJMJZCFIKSGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17P/c1-3-5-10-7-8-12-13(10)11(6-4-2)9-14-12/h7-9H,3-6H2,1-2H3.
What are the key properties of 3,4-dipropylcyclopenta[b]phosphole?
3,4-dipropylcyclopenta[b]phosphole has a molecular weight of 204.25 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dipropylcyclopenta[b]phosphole is sourced from PubChem (CID 21095411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).