1,3-diphenylchromeno[4,3-b]pyrrol-4-one

C23H15NO2 — CID 14788079

IUPAC1,3-diphenylchromeno[4,3-b]pyrrol-4-one
SMILESO=c1oc2ccccc2c2c1c(-c1ccccc1)cn2-c1ccccc1
InChIInChI=1S/C23H15NO2/c25-23-21-19(16-9-3-1-4-10-16)15-24(17-11-5-2-6-12-17)22(21)18-13-7-8-14-20(18)26-23/h1-15H
InChIKeyHTXLWCFRXIZERU-UHFFFAOYSA-N
MW337.38 g/mol
LogP5.40
Rot. Bonds2

About 1,3-diphenylchromeno[4,3-b]pyrrol-4-one

1,3-diphenylchromeno[4,3-b]pyrrol-4-one (PubChem CID 14788079) has the molecular formula C23H15NO2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1,3-diphenylchromeno[4,3-b]pyrrol-4-one.

Molecular Properties

Compound Name1,3-diphenylchromeno[4,3-b]pyrrol-4-one
PubChem CID14788079
Molecular FormulaC23H15NO2
Molecular Weight337.38 g/mol
Exact Mass337.11
IUPAC Name1,3-diphenylchromeno[4,3-b]pyrrol-4-one
SMILESO=c1oc2ccccc2c2c1c(-c1ccccc1)cn2-c1ccccc1
InChIInChI=1S/C23H15NO2/c25-23-21-19(16-9-3-1-4-10-16)15-24(17-11-5-2-6-12-17)22(21)18-13-7-8-14-20(18)26-23/h1-15H
InChIKeyHTXLWCFRXIZERU-UHFFFAOYSA-N
XLogP5.40
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.38
LogP ≤ 55.40
H-Bond Donors ≤ 50
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 1,3-diphenylchromeno[4,3-b]pyrrol-4-one?
The IUPAC name of 1,3-diphenylchromeno[4,3-b]pyrrol-4-one (CID 14788079) is 1,3-diphenylchromeno[4,3-b]pyrrol-4-one.
What is the SMILES notation for 1,3-diphenylchromeno[4,3-b]pyrrol-4-one?
The canonical SMILES for 1,3-diphenylchromeno[4,3-b]pyrrol-4-one is O=c1oc2ccccc2c2c1c(-c1ccccc1)cn2-c1ccccc1.
What is the InChIKey of 1,3-diphenylchromeno[4,3-b]pyrrol-4-one?
The InChIKey is HTXLWCFRXIZERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO2/c25-23-21-19(16-9-3-1-4-10-16)15-24(17-11-5-2-6-12-17)22(21)18-13-7-8-14-20(18)26-23/h1-15H.
What are the key properties of 1,3-diphenylchromeno[4,3-b]pyrrol-4-one?
1,3-diphenylchromeno[4,3-b]pyrrol-4-one has a molecular weight of 337.38 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylchromeno[4,3-b]pyrrol-4-one is sourced from PubChem (CID 14788079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).