cyclopenta-1,3-diene;phosphane

C5H9P — CID 159117413

IUPACcyclopenta-1,3-diene;phosphane
SMILESC1=CCC=C1.P
InChIInChI=1S/C5H6.H3P/c1-2-4-5-3-1;/h1-4H,5H2;1H3
InChIKeyYQVSRQYXCFLJPR-UHFFFAOYSA-N
MW100.10 g/mol
LogP1.56
Rot. Bonds

About cyclopenta-1,3-diene;phosphane

cyclopenta-1,3-diene;phosphane (PubChem CID 159117413) has the molecular formula C5H9P and a molecular weight of 100.10 g/mol. Its IUPAC name is cyclopenta-1,3-diene;phosphane.

Molecular Properties

Compound Namecyclopenta-1,3-diene;phosphane
PubChem CID159117413
Molecular FormulaC5H9P
Molecular Weight100.10 g/mol
Exact Mass100.04
IUPAC Namecyclopenta-1,3-diene;phosphane
SMILESC1=CCC=C1.P
InChIInChI=1S/C5H6.H3P/c1-2-4-5-3-1;/h1-4H,5H2;1H3
InChIKeyYQVSRQYXCFLJPR-UHFFFAOYSA-N
XLogP1.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.10
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze cyclopenta-1,3-diene;phosphane 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 cyclopenta-1,3-diene;phosphane?
The IUPAC name of cyclopenta-1,3-diene;phosphane (CID 159117413) is cyclopenta-1,3-diene;phosphane.
What is the SMILES notation for cyclopenta-1,3-diene;phosphane?
The canonical SMILES for cyclopenta-1,3-diene;phosphane is C1=CCC=C1.P.
What is the InChIKey of cyclopenta-1,3-diene;phosphane?
The InChIKey is YQVSRQYXCFLJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6.H3P/c1-2-4-5-3-1;/h1-4H,5H2;1H3.
What are the key properties of cyclopenta-1,3-diene;phosphane?
cyclopenta-1,3-diene;phosphane has a molecular weight of 100.10 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;phosphane is sourced from PubChem (CID 159117413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).