4-methyl-7-[(phenylhydrazinylidene)methyl]chromen-2-one

C17H14N2O2 — CID 169382421

IUPAC4-methyl-7-[(phenylhydrazinylidene)methyl]chromen-2-one
SMILESCc1cc(=O)oc2cc(C=NNc3ccccc3)ccc12
InChIInChI=1S/C17H14N2O2/c1-12-9-17(20)21-16-10-13(7-8-15(12)16)11-18-19-14-5-3-2-4-6-14/h2-11,19H,1H3
InChIKeyMTNWKBXTEAKGLO-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.55
Rot. Bonds3

About 4-methyl-7-[(phenylhydrazinylidene)methyl]chromen-2-one

4-methyl-7-[(phenylhydrazinylidene)methyl]chromen-2-one (PubChem CID 169382421) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-methyl-7-[(phenylhydrazinylidene)methyl]chromen-2-one.

Molecular Properties

Compound Name4-methyl-7-[(phenylhydrazinylidene)methyl]chromen-2-one
PubChem CID169382421
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name4-methyl-7-[(phenylhydrazinylidene)methyl]chromen-2-one
SMILESCc1cc(=O)oc2cc(C=NNc3ccccc3)ccc12
InChIInChI=1S/C17H14N2O2/c1-12-9-17(20)21-16-10-13(7-8-15(12)16)11-18-19-14-5-3-2-4-6-14/h2-11,19H,1H3
InChIKeyMTNWKBXTEAKGLO-UHFFFAOYSA-N
XLogP3.55
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-7-nitrosochromen-2-one
CID 122373464
1-cyano-N-(4-methyl-2-oxochromen-7-yl)-N'-phenylmethanimidamide
CID 139187516
N-[[4-(3,4-dimethylphenyl)phenyl]methylideneamino]aniline
CID 169382287
7-(dimethylsulfamoylamino)-4-methyl-2-oxochromene
CID 110734309
1-(4-methyl-2-oxochromen-7-yl)-3-[(2S)-2-phenylpropyl]urea
CID 94756587
7-[(E)-(methylhydrazinylidene)methyl]chromen-2-one
CID 10397938
4-(4-methyl-2-oxochromen-7-yl)oxy-N-[(4-methylphenyl)methylideneamino]butanamide
CID 134812991
dimethyltin;4-methylchromen-2-one
CID 175284443
N-(4-methyl-2-oxochromen-7-yl)-2-phenoxypropanamide
CID 16551217
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412335
N-[(Z)-(3,5-diiodo-4-methylphenyl)methylideneamino]aniline
CID 71145982
4-[(4-methyl-2-oxochromen-7-yl)carbamoyl]benzoic acid
CID 134155841

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-[(phenylhydrazinylidene)methyl]chromen-2-one?
The IUPAC name of 4-methyl-7-[(phenylhydrazinylidene)methyl]chromen-2-one (CID 169382421) is 4-methyl-7-[(phenylhydrazinylidene)methyl]chromen-2-one.
What is the SMILES notation for 4-methyl-7-[(phenylhydrazinylidene)methyl]chromen-2-one?
The canonical SMILES for 4-methyl-7-[(phenylhydrazinylidene)methyl]chromen-2-one is Cc1cc(=O)oc2cc(C=NNc3ccccc3)ccc12.
What is the InChIKey of 4-methyl-7-[(phenylhydrazinylidene)methyl]chromen-2-one?
The InChIKey is MTNWKBXTEAKGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-12-9-17(20)21-16-10-13(7-8-15(12)16)11-18-19-14-5-3-2-4-6-14/h2-11,19H,1H3.
What are the key properties of 4-methyl-7-[(phenylhydrazinylidene)methyl]chromen-2-one?
4-methyl-7-[(phenylhydrazinylidene)methyl]chromen-2-one has a molecular weight of 278.31 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-[(phenylhydrazinylidene)methyl]chromen-2-one is sourced from PubChem (CID 169382421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).