6-(benzylideneamino)chromen-2-one

C16H11NO2 — CID 15270569

IUPAC6-(benzylideneamino)chromen-2-one
SMILESO=c1ccc2cc(/N=C/c3ccccc3)ccc2o1
InChIInChI=1S/C16H11NO2/c18-16-9-6-13-10-14(7-8-15(13)19-16)17-11-12-4-2-1-3-5-12/h1-11H/b17-11+
InChIKeyJGGXMRCFUJMMJT-GZTJUZNOSA-N
MW249.27 g/mol
LogP3.54
Rot. Bonds2

About 6-(benzylideneamino)chromen-2-one

6-(benzylideneamino)chromen-2-one (PubChem CID 15270569) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 6-(benzylideneamino)chromen-2-one.

Molecular Properties

Compound Name6-(benzylideneamino)chromen-2-one
PubChem CID15270569
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Name6-(benzylideneamino)chromen-2-one
SMILESO=c1ccc2cc(/N=C/c3ccccc3)ccc2o1
InChIInChI=1S/C16H11NO2/c18-16-9-6-13-10-14(7-8-15(13)19-16)17-11-12-4-2-1-3-5-12/h1-11H/b17-11+
InChIKeyJGGXMRCFUJMMJT-GZTJUZNOSA-N
XLogP3.54
TPSA42.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(benzylideneamino)chromen-2-one?
The IUPAC name of 6-(benzylideneamino)chromen-2-one (CID 15270569) is 6-(benzylideneamino)chromen-2-one.
What is the SMILES notation for 6-(benzylideneamino)chromen-2-one?
The canonical SMILES for 6-(benzylideneamino)chromen-2-one is O=c1ccc2cc(/N=C/c3ccccc3)ccc2o1.
What is the InChIKey of 6-(benzylideneamino)chromen-2-one?
The InChIKey is JGGXMRCFUJMMJT-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H11NO2/c18-16-9-6-13-10-14(7-8-15(13)19-16)17-11-12-4-2-1-3-5-12/h1-11H/b17-11+.
What are the key properties of 6-(benzylideneamino)chromen-2-one?
6-(benzylideneamino)chromen-2-one has a molecular weight of 249.27 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylideneamino)chromen-2-one is sourced from PubChem (CID 15270569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).