1-cyclopenta-1,2,4-trien-1-ylphosphinin-1-ium

C10H8P+ — CID 177463938

IUPAC1-cyclopenta-1,2,4-trien-1-ylphosphinin-1-ium
SMILESC1=CC=CC=1[p+]1ccccc1
InChIInChI=1S/C10H8P/c1-4-8-11(9-5-1)10-6-2-3-7-10/h1-6,8-9H/q+1
InChIKeyCSRLXWGETHDDRD-UHFFFAOYSA-N
MW159.15 g/mol
LogP3.52
Rot. Bonds1

About 1-cyclopenta-1,2,4-trien-1-ylphosphinin-1-ium

1-cyclopenta-1,2,4-trien-1-ylphosphinin-1-ium (PubChem CID 177463938) has the molecular formula C10H8P+ and a molecular weight of 159.15 g/mol. Its IUPAC name is 1-cyclopenta-1,2,4-trien-1-ylphosphinin-1-ium.

Molecular Properties

Compound Name1-cyclopenta-1,2,4-trien-1-ylphosphinin-1-ium
PubChem CID177463938
Molecular FormulaC10H8P+
Molecular Weight159.15 g/mol
Exact Mass159.04
IUPAC Name1-cyclopenta-1,2,4-trien-1-ylphosphinin-1-ium
SMILESC1=CC=CC=1[p+]1ccccc1
InChIInChI=1S/C10H8P/c1-4-8-11(9-5-1)10-6-2-3-7-10/h1-6,8-9H/q+1
InChIKeyCSRLXWGETHDDRD-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.15
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,2,4-trien-1-ylphosphinin-1-ium?
The IUPAC name of 1-cyclopenta-1,2,4-trien-1-ylphosphinin-1-ium (CID 177463938) is 1-cyclopenta-1,2,4-trien-1-ylphosphinin-1-ium.
What is the SMILES notation for 1-cyclopenta-1,2,4-trien-1-ylphosphinin-1-ium?
The canonical SMILES for 1-cyclopenta-1,2,4-trien-1-ylphosphinin-1-ium is C1=CC=CC=1[p+]1ccccc1.
What is the InChIKey of 1-cyclopenta-1,2,4-trien-1-ylphosphinin-1-ium?
The InChIKey is CSRLXWGETHDDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8P/c1-4-8-11(9-5-1)10-6-2-3-7-10/h1-6,8-9H/q+1.
What are the key properties of 1-cyclopenta-1,2,4-trien-1-ylphosphinin-1-ium?
1-cyclopenta-1,2,4-trien-1-ylphosphinin-1-ium has a molecular weight of 159.15 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,2,4-trien-1-ylphosphinin-1-ium is sourced from PubChem (CID 177463938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).