(2E)-2-benzylidenephospholane

C11H13P — CID 101019045

IUPAC(2E)-2-benzylidenephospholane
SMILESC(=C1\CCCP1)\c1ccccc1
InChIInChI=1S/C11H13P/c1-2-5-10(6-3-1)9-11-7-4-8-12-11/h1-3,5-6,9,12H,4,7-8H2/b11-9+
InChIKeyHDZPOLCXGZIIKF-PKNBQFBNSA-N
MW176.20 g/mol
LogP3.50
Rot. Bonds1

About (2E)-2-benzylidenephospholane

(2E)-2-benzylidenephospholane (PubChem CID 101019045) has the molecular formula C11H13P and a molecular weight of 176.20 g/mol. Its IUPAC name is (2E)-2-benzylidenephospholane.

Molecular Properties

Compound Name(2E)-2-benzylidenephospholane
PubChem CID101019045
Molecular FormulaC11H13P
Molecular Weight176.20 g/mol
Exact Mass176.08
IUPAC Name(2E)-2-benzylidenephospholane
SMILESC(=C1\CCCP1)\c1ccccc1
InChIInChI=1S/C11H13P/c1-2-5-10(6-3-1)9-11-7-4-8-12-11/h1-3,5-6,9,12H,4,7-8H2/b11-9+
InChIKeyHDZPOLCXGZIIKF-PKNBQFBNSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2E)-2-benzylidenephospholane 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 (2E)-2-benzylidenephospholane?
The IUPAC name of (2E)-2-benzylidenephospholane (CID 101019045) is (2E)-2-benzylidenephospholane.
What is the SMILES notation for (2E)-2-benzylidenephospholane?
The canonical SMILES for (2E)-2-benzylidenephospholane is C(=C1\CCCP1)\c1ccccc1.
What is the InChIKey of (2E)-2-benzylidenephospholane?
The InChIKey is HDZPOLCXGZIIKF-PKNBQFBNSA-N. The full InChI is InChI=1S/C11H13P/c1-2-5-10(6-3-1)9-11-7-4-8-12-11/h1-3,5-6,9,12H,4,7-8H2/b11-9+.
What are the key properties of (2E)-2-benzylidenephospholane?
(2E)-2-benzylidenephospholane has a molecular weight of 176.20 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-benzylidenephospholane is sourced from PubChem (CID 101019045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).