3H-phosphinin-2-one

C5H5OP — CID 141088991

IUPAC3H-phosphinin-2-one
SMILESO=C1CC=CC=P1
InChIInChI=1S/C5H5OP/c6-5-3-1-2-4-7-5/h1-2,4H,3H2
InChIKeyUZKSUKWDHDOKAE-UHFFFAOYSA-N
MW112.07 g/mol
LogP1.22
Rot. Bonds

About 3H-phosphinin-2-one

3H-phosphinin-2-one (PubChem CID 141088991) has the molecular formula C5H5OP and a molecular weight of 112.07 g/mol. Its IUPAC name is 3H-phosphinin-2-one.

Molecular Properties

Compound Name3H-phosphinin-2-one
PubChem CID141088991
Molecular FormulaC5H5OP
Molecular Weight112.07 g/mol
Exact Mass112.01
IUPAC Name3H-phosphinin-2-one
SMILESO=C1CC=CC=P1
InChIInChI=1S/C5H5OP/c6-5-3-1-2-4-7-5/h1-2,4H,3H2
InChIKeyUZKSUKWDHDOKAE-UHFFFAOYSA-N
XLogP1.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.07
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-hydroxy-3H-azepin-2-one
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1,3-dihydroazepin-2-one;hydrochloride
CID 172798997
2,3,4,5-tetra(cyclopenta-1,3-dien-1-yl)cyclopenta-2,4-dien-1-one
CID 102081594
cyclohexa-2,4-dien-1-one;methanesulfonohydrazide
CID 174750849
1-methyl-2,6-dihydropyridin-3-one;hydrochloride
CID 71330640
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Frequently Asked Questions

What is the IUPAC name of 3H-phosphinin-2-one?
The IUPAC name of 3H-phosphinin-2-one (CID 141088991) is 3H-phosphinin-2-one.
What is the SMILES notation for 3H-phosphinin-2-one?
The canonical SMILES for 3H-phosphinin-2-one is O=C1CC=CC=P1.
What is the InChIKey of 3H-phosphinin-2-one?
The InChIKey is UZKSUKWDHDOKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5OP/c6-5-3-1-2-4-7-5/h1-2,4H,3H2.
What are the key properties of 3H-phosphinin-2-one?
3H-phosphinin-2-one has a molecular weight of 112.07 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-phosphinin-2-one is sourced from PubChem (CID 141088991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).