3-methyl-3,4-dihydrophosphinine

C6H9P — CID 129090362

IUPAC3-methyl-3,4-dihydrophosphinine
SMILESCC1C=PC=CC1
InChIInChI=1S/C6H9P/c1-6-3-2-4-7-5-6/h2,4-6H,3H2,1H3
InChIKeyIZHHLOCPXLRKFV-UHFFFAOYSA-N
MW112.11 g/mol
LogP2.29
Rot. Bonds

About 3-methyl-3,4-dihydrophosphinine

3-methyl-3,4-dihydrophosphinine (PubChem CID 129090362) has the molecular formula C6H9P and a molecular weight of 112.11 g/mol. Its IUPAC name is 3-methyl-3,4-dihydrophosphinine.

Molecular Properties

Compound Name3-methyl-3,4-dihydrophosphinine
PubChem CID129090362
Molecular FormulaC6H9P
Molecular Weight112.11 g/mol
Exact Mass112.04
IUPAC Name3-methyl-3,4-dihydrophosphinine
SMILESCC1C=PC=CC1
InChIInChI=1S/C6H9P/c1-6-3-2-4-7-5-6/h2,4-6H,3H2,1H3
InChIKeyIZHHLOCPXLRKFV-UHFFFAOYSA-N
XLogP2.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.11
LogP ≤ 52.29
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-methyl-3,4-dihydrophosphinine?
The IUPAC name of 3-methyl-3,4-dihydrophosphinine (CID 129090362) is 3-methyl-3,4-dihydrophosphinine.
What is the SMILES notation for 3-methyl-3,4-dihydrophosphinine?
The canonical SMILES for 3-methyl-3,4-dihydrophosphinine is CC1C=PC=CC1.
What is the InChIKey of 3-methyl-3,4-dihydrophosphinine?
The InChIKey is IZHHLOCPXLRKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9P/c1-6-3-2-4-7-5-6/h2,4-6H,3H2,1H3.
What are the key properties of 3-methyl-3,4-dihydrophosphinine?
3-methyl-3,4-dihydrophosphinine has a molecular weight of 112.11 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,4-dihydrophosphinine is sourced from PubChem (CID 129090362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).