CID 131851272

C7H7N2O — CID 131851272

IUPAC—
SMILESN[N]C(=O)c1ccccc1
InChIInChI=1S/C7H7N2O/c8-9-7(10)6-4-2-1-3-5-6/h1-5H,8H2
InChIKeyDFMLSDIPRFJJMX-UHFFFAOYSA-N
MW135.15 g/mol
LogP0.30
Rot. Bonds1

About CID 131851272

CID 131851272 (PubChem CID 131851272) has the molecular formula C7H7N2O and a molecular weight of 135.15 g/mol.

Molecular Properties

Compound NameCID 131851272
PubChem CID131851272
Molecular FormulaC7H7N2O
Molecular Weight135.15 g/mol
Exact Mass135.06
IUPAC Name—
SMILESN[N]C(=O)c1ccccc1
InChIInChI=1S/C7H7N2O/c8-9-7(10)6-4-2-1-3-5-6/h1-5H,8H2
InChIKeyDFMLSDIPRFJJMX-UHFFFAOYSA-N
XLogP0.30
TPSA57.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.15
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(aminomethylidene)benzamide
CID 55287210
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
N-(iodo-methyl-oxo-λ6-sulfanylidene)benzamide
CID 167050073
benzoyl isocyanate;thiourea
CID 162243838
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
diphenylmethanone
CID 3102
1,2-diphenylethane-1,2-dione;iron
CID 70488368
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
(1E)-2-oxo-2-phenylethanehydrazonoyl chloride
CID 45080811
benzoyl azide;hydrochloride
CID 174620684

Frequently Asked Questions

What is the IUPAC name of CID 131851272?
The IUPAC name of CID 131851272 (CID 131851272) is not available.
What is the SMILES notation for CID 131851272?
The canonical SMILES for CID 131851272 is N[N]C(=O)c1ccccc1.
What is the InChIKey of CID 131851272?
The InChIKey is DFMLSDIPRFJJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N2O/c8-9-7(10)6-4-2-1-3-5-6/h1-5H,8H2.
What are the key properties of CID 131851272?
CID 131851272 has a molecular weight of 135.15 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131851272 is sourced from PubChem (CID 131851272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).