2,3-dimethyl-2-oxo-1H-1,3,2λ5-benzodiazaphosphinin-4-one

C9H11N2O2P — CID 134916233

IUPAC2,3-dimethyl-2-oxo-1H-1,3,2λ5-benzodiazaphosphinin-4-one
SMILESCN1C(=O)c2ccccc2NP1(C)=O
InChIInChI=1S/C9H11N2O2P/c1-11-9(12)7-5-3-4-6-8(7)10-14(11,2)13/h3-6H,1-2H3,(H,10,13)
InChIKeyXLHVWPLWGDOXKN-UHFFFAOYSA-N
MW210.17 g/mol
LogP2.01
Rot. Bonds

About 2,3-dimethyl-2-oxo-1H-1,3,2λ5-benzodiazaphosphinin-4-one

2,3-dimethyl-2-oxo-1H-1,3,2λ5-benzodiazaphosphinin-4-one (PubChem CID 134916233) has the molecular formula C9H11N2O2P and a molecular weight of 210.17 g/mol. Its IUPAC name is 2,3-dimethyl-2-oxo-1H-1,3,2λ5-benzodiazaphosphinin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-2-oxo-1H-1,3,2λ5-benzodiazaphosphinin-4-one
PubChem CID134916233
Molecular FormulaC9H11N2O2P
Molecular Weight210.17 g/mol
Exact Mass210.06
IUPAC Name2,3-dimethyl-2-oxo-1H-1,3,2λ5-benzodiazaphosphinin-4-one
SMILESCN1C(=O)c2ccccc2NP1(C)=O
InChIInChI=1S/C9H11N2O2P/c1-11-9(12)7-5-3-4-6-8(7)10-14(11,2)13/h3-6H,1-2H3,(H,10,13)
InChIKeyXLHVWPLWGDOXKN-UHFFFAOYSA-N
XLogP2.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.17
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 13124860
2-(Methylamino)benzamide
CID 101222
2-Amino-N-methylbenzamide
CID 308072
2-amino-N,N-diethylbenzamide
CID 10104045
3-Methyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 344385
3-Methylbenzotriazin-4-one
CID 73023
2-amino-N-propylbenzamide
CID 1653335
2-Amino-N,N-dimethylbenzamide
CID 4778175

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-oxo-1H-1,3,2λ5-benzodiazaphosphinin-4-one?
The IUPAC name of 2,3-dimethyl-2-oxo-1H-1,3,2λ5-benzodiazaphosphinin-4-one (CID 134916233) is 2,3-dimethyl-2-oxo-1H-1,3,2λ5-benzodiazaphosphinin-4-one.
What is the SMILES notation for 2,3-dimethyl-2-oxo-1H-1,3,2λ5-benzodiazaphosphinin-4-one?
The canonical SMILES for 2,3-dimethyl-2-oxo-1H-1,3,2λ5-benzodiazaphosphinin-4-one is CN1C(=O)c2ccccc2NP1(C)=O.
What is the InChIKey of 2,3-dimethyl-2-oxo-1H-1,3,2λ5-benzodiazaphosphinin-4-one?
The InChIKey is XLHVWPLWGDOXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N2O2P/c1-11-9(12)7-5-3-4-6-8(7)10-14(11,2)13/h3-6H,1-2H3,(H,10,13).
What are the key properties of 2,3-dimethyl-2-oxo-1H-1,3,2λ5-benzodiazaphosphinin-4-one?
2,3-dimethyl-2-oxo-1H-1,3,2λ5-benzodiazaphosphinin-4-one has a molecular weight of 210.17 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-oxo-1H-1,3,2λ5-benzodiazaphosphinin-4-one is sourced from PubChem (CID 134916233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).