7-(benzylamino)chromen-2-one

C16H13NO2 — CID 10658386

IUPAC7-(benzylamino)chromen-2-one
SMILESO=c1ccc2ccc(NCc3ccccc3)cc2o1
InChIInChI=1S/C16H13NO2/c18-16-9-7-13-6-8-14(10-15(13)19-16)17-11-12-4-2-1-3-5-12/h1-10,17H,11H2
InChIKeyCAHPUBBBUUTMDP-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.41
Rot. Bonds3

About 7-(benzylamino)chromen-2-one

7-(benzylamino)chromen-2-one (PubChem CID 10658386) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 7-(benzylamino)chromen-2-one.

Molecular Properties

Compound Name7-(benzylamino)chromen-2-one
PubChem CID10658386
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name7-(benzylamino)chromen-2-one
SMILESO=c1ccc2ccc(NCc3ccccc3)cc2o1
InChIInChI=1S/C16H13NO2/c18-16-9-7-13-6-8-14(10-15(13)19-16)17-11-12-4-2-1-3-5-12/h1-10,17H,11H2
InChIKeyCAHPUBBBUUTMDP-UHFFFAOYSA-N
XLogP3.41
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(benzylamino)chromen-2-one?
The IUPAC name of 7-(benzylamino)chromen-2-one (CID 10658386) is 7-(benzylamino)chromen-2-one.
What is the SMILES notation for 7-(benzylamino)chromen-2-one?
The canonical SMILES for 7-(benzylamino)chromen-2-one is O=c1ccc2ccc(NCc3ccccc3)cc2o1.
What is the InChIKey of 7-(benzylamino)chromen-2-one?
The InChIKey is CAHPUBBBUUTMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c18-16-9-7-13-6-8-14(10-15(13)19-16)17-11-12-4-2-1-3-5-12/h1-10,17H,11H2.
What are the key properties of 7-(benzylamino)chromen-2-one?
7-(benzylamino)chromen-2-one has a molecular weight of 251.29 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzylamino)chromen-2-one is sourced from PubChem (CID 10658386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).