1,2-benzazaphosphol-2-ium-2-ylidenemethanone

C8H5NOP+ — CID 88746045

IUPAC1,2-benzazaphosphol-2-ium-2-ylidenemethanone
SMILESO=C=[P+]1C=c2ccccc2=N1
InChIInChI=1S/C8H5NOP/c10-6-11-5-7-3-1-2-4-8(7)9-11/h1-5H/q+1
InChIKeyNBQGSSDTZADCOY-UHFFFAOYSA-N
MW162.11 g/mol
LogP0.52
Rot. Bonds

About 1,2-benzazaphosphol-2-ium-2-ylidenemethanone

1,2-benzazaphosphol-2-ium-2-ylidenemethanone (PubChem CID 88746045) has the molecular formula C8H5NOP+ and a molecular weight of 162.11 g/mol. Its IUPAC name is 1,2-benzazaphosphol-2-ium-2-ylidenemethanone.

Molecular Properties

Compound Name1,2-benzazaphosphol-2-ium-2-ylidenemethanone
PubChem CID88746045
Molecular FormulaC8H5NOP+
Molecular Weight162.11 g/mol
Exact Mass162.01
IUPAC Name1,2-benzazaphosphol-2-ium-2-ylidenemethanone
SMILESO=C=[P+]1C=c2ccccc2=N1
InChIInChI=1S/C8H5NOP/c10-6-11-5-7-3-1-2-4-8(7)9-11/h1-5H/q+1
InChIKeyNBQGSSDTZADCOY-UHFFFAOYSA-N
XLogP0.52
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.11
LogP ≤ 50.52
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 1,2-benzazaphosphol-2-ium-2-ylidenemethanone?
The IUPAC name of 1,2-benzazaphosphol-2-ium-2-ylidenemethanone (CID 88746045) is 1,2-benzazaphosphol-2-ium-2-ylidenemethanone.
What is the SMILES notation for 1,2-benzazaphosphol-2-ium-2-ylidenemethanone?
The canonical SMILES for 1,2-benzazaphosphol-2-ium-2-ylidenemethanone is O=C=[P+]1C=c2ccccc2=N1.
What is the InChIKey of 1,2-benzazaphosphol-2-ium-2-ylidenemethanone?
The InChIKey is NBQGSSDTZADCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NOP/c10-6-11-5-7-3-1-2-4-8(7)9-11/h1-5H/q+1.
What are the key properties of 1,2-benzazaphosphol-2-ium-2-ylidenemethanone?
1,2-benzazaphosphol-2-ium-2-ylidenemethanone has a molecular weight of 162.11 g/mol, XLogP of 0.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-benzazaphosphol-2-ium-2-ylidenemethanone is sourced from PubChem (CID 88746045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).