3-(benzylamino)chromen-2-one

C16H13NO2 — CID 86208301

IUPAC3-(benzylamino)chromen-2-one
SMILESO=c1oc2ccccc2cc1NCc1ccccc1
InChIInChI=1S/C16H13NO2/c18-16-14(17-11-12-6-2-1-3-7-12)10-13-8-4-5-9-15(13)19-16/h1-10,17H,11H2
InChIKeyOZJHJANIKZYJAX-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.41
Rot. Bonds3

About 3-(benzylamino)chromen-2-one

3-(benzylamino)chromen-2-one (PubChem CID 86208301) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-(benzylamino)chromen-2-one.

Molecular Properties

Compound Name3-(benzylamino)chromen-2-one
PubChem CID86208301
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name3-(benzylamino)chromen-2-one
SMILESO=c1oc2ccccc2cc1NCc1ccccc1
InChIInChI=1S/C16H13NO2/c18-16-14(17-11-12-6-2-1-3-7-12)10-13-8-4-5-9-15(13)19-16/h1-10,17H,11H2
InChIKeyOZJHJANIKZYJAX-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 3-(benzylamino)chromen-2-one?
The IUPAC name of 3-(benzylamino)chromen-2-one (CID 86208301) is 3-(benzylamino)chromen-2-one.
What is the SMILES notation for 3-(benzylamino)chromen-2-one?
The canonical SMILES for 3-(benzylamino)chromen-2-one is O=c1oc2ccccc2cc1NCc1ccccc1.
What is the InChIKey of 3-(benzylamino)chromen-2-one?
The InChIKey is OZJHJANIKZYJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c18-16-14(17-11-12-6-2-1-3-7-12)10-13-8-4-5-9-15(13)19-16/h1-10,17H,11H2.
What are the key properties of 3-(benzylamino)chromen-2-one?
3-(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 3-(benzylamino)chromen-2-one is sourced from PubChem (CID 86208301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).