2H-3,1,2-benzoxazaphosphinine

C7H6NOP — CID 175098968

IUPAC2H-3,1,2-benzoxazaphosphinine
SMILESC1=c2ccccc2=NPO1
InChIInChI=1S/C7H6NOP/c1-2-4-7-6(3-1)5-9-10-8-7/h1-5,10H
InChIKeyUWLTVDQNCZIOCJ-UHFFFAOYSA-N
MW151.10 g/mol
LogP0.58
Rot. Bonds

About 2H-3,1,2-benzoxazaphosphinine

2H-3,1,2-benzoxazaphosphinine (PubChem CID 175098968) has the molecular formula C7H6NOP and a molecular weight of 151.10 g/mol. Its IUPAC name is 2H-3,1,2-benzoxazaphosphinine.

Molecular Properties

Compound Name2H-3,1,2-benzoxazaphosphinine
PubChem CID175098968
Molecular FormulaC7H6NOP
Molecular Weight151.10 g/mol
Exact Mass151.02
IUPAC Name2H-3,1,2-benzoxazaphosphinine
SMILESC1=c2ccccc2=NPO1
InChIInChI=1S/C7H6NOP/c1-2-4-7-6(3-1)5-9-10-8-7/h1-5,10H
InChIKeyUWLTVDQNCZIOCJ-UHFFFAOYSA-N
XLogP0.58
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.10
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2H-3,1,2-benzoxazaphosphinine?
The IUPAC name of 2H-3,1,2-benzoxazaphosphinine (CID 175098968) is 2H-3,1,2-benzoxazaphosphinine.
What is the SMILES notation for 2H-3,1,2-benzoxazaphosphinine?
The canonical SMILES for 2H-3,1,2-benzoxazaphosphinine is C1=c2ccccc2=NPO1.
What is the InChIKey of 2H-3,1,2-benzoxazaphosphinine?
The InChIKey is UWLTVDQNCZIOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6NOP/c1-2-4-7-6(3-1)5-9-10-8-7/h1-5,10H.
What are the key properties of 2H-3,1,2-benzoxazaphosphinine?
2H-3,1,2-benzoxazaphosphinine has a molecular weight of 151.10 g/mol, XLogP of 0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-3,1,2-benzoxazaphosphinine is sourced from PubChem (CID 175098968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).