2-anilinochromen-4-one

C15H11NO2 — CID 10823780

IUPAC2-anilinochromen-4-one
SMILESO=c1cc(Nc2ccccc2)oc2ccccc12
InChIInChI=1S/C15H11NO2/c17-13-10-15(16-11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14/h1-10,16H
InChIKeyPQZJFMHGGDECSB-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.54
Rot. Bonds2

About 2-anilinochromen-4-one

2-anilinochromen-4-one (PubChem CID 10823780) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-anilinochromen-4-one.

Molecular Properties

Compound Name2-anilinochromen-4-one
PubChem CID10823780
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name2-anilinochromen-4-one
SMILESO=c1cc(Nc2ccccc2)oc2ccccc12
InChIInChI=1S/C15H11NO2/c17-13-10-15(16-11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14/h1-10,16H
InChIKeyPQZJFMHGGDECSB-UHFFFAOYSA-N
XLogP3.54
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-anilinochromen-4-one?
The IUPAC name of 2-anilinochromen-4-one (CID 10823780) is 2-anilinochromen-4-one.
What is the SMILES notation for 2-anilinochromen-4-one?
The canonical SMILES for 2-anilinochromen-4-one is O=c1cc(Nc2ccccc2)oc2ccccc12.
What is the InChIKey of 2-anilinochromen-4-one?
The InChIKey is PQZJFMHGGDECSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c17-13-10-15(16-11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14/h1-10,16H.
What are the key properties of 2-anilinochromen-4-one?
2-anilinochromen-4-one has a molecular weight of 237.26 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilinochromen-4-one is sourced from PubChem (CID 10823780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).