cyclopenta-1,3-dien-1-ylphosphinous acid

C5H7OP — CID 161175959

IUPACcyclopenta-1,3-dien-1-ylphosphinous acid
SMILESOPC1=CC=CC1
InChIInChI=1S/C5H7OP/c6-7-5-3-1-2-4-5/h1-3,6-7H,4H2
InChIKeyRCYWOJTUSFIBOV-UHFFFAOYSA-N
MW114.08 g/mol
LogP1.42
Rot. Bonds1

About cyclopenta-1,3-dien-1-ylphosphinous acid

cyclopenta-1,3-dien-1-ylphosphinous acid (PubChem CID 161175959) has the molecular formula C5H7OP and a molecular weight of 114.08 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-ylphosphinous acid.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-ylphosphinous acid
PubChem CID161175959
Molecular FormulaC5H7OP
Molecular Weight114.08 g/mol
Exact Mass114.02
IUPAC Namecyclopenta-1,3-dien-1-ylphosphinous acid
SMILESOPC1=CC=CC1
InChIInChI=1S/C5H7OP/c6-7-5-3-1-2-4-5/h1-3,6-7H,4H2
InChIKeyRCYWOJTUSFIBOV-UHFFFAOYSA-N
XLogP1.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.08
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-dien-1-ylphosphinous acid?
The IUPAC name of cyclopenta-1,3-dien-1-ylphosphinous acid (CID 161175959) is cyclopenta-1,3-dien-1-ylphosphinous acid.
What is the SMILES notation for cyclopenta-1,3-dien-1-ylphosphinous acid?
The canonical SMILES for cyclopenta-1,3-dien-1-ylphosphinous acid is OPC1=CC=CC1.
What is the InChIKey of cyclopenta-1,3-dien-1-ylphosphinous acid?
The InChIKey is RCYWOJTUSFIBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7OP/c6-7-5-3-1-2-4-5/h1-3,6-7H,4H2.
What are the key properties of cyclopenta-1,3-dien-1-ylphosphinous acid?
cyclopenta-1,3-dien-1-ylphosphinous acid has a molecular weight of 114.08 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-dien-1-ylphosphinous acid is sourced from PubChem (CID 161175959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).