3-phenyl-1H-chromeno[4,3-b]pyrrol-4-one

C17H11NO2 — CID 15419530

IUPAC3-phenyl-1H-chromeno[4,3-b]pyrrol-4-one
SMILESO=c1oc2ccccc2c2[nH]cc(-c3ccccc3)c12
InChIInChI=1S/C17H11NO2/c19-17-15-13(11-6-2-1-3-7-11)10-18-16(15)12-8-4-5-9-14(12)20-17/h1-10,18H
InChIKeyHAPXNXZZMBATRV-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.94
Rot. Bonds1

About 3-phenyl-1H-chromeno[4,3-b]pyrrol-4-one

3-phenyl-1H-chromeno[4,3-b]pyrrol-4-one (PubChem CID 15419530) has the molecular formula C17H11NO2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-phenyl-1H-chromeno[4,3-b]pyrrol-4-one.

Molecular Properties

Compound Name3-phenyl-1H-chromeno[4,3-b]pyrrol-4-one
PubChem CID15419530
Molecular FormulaC17H11NO2
Molecular Weight261.28 g/mol
Exact Mass261.08
IUPAC Name3-phenyl-1H-chromeno[4,3-b]pyrrol-4-one
SMILESO=c1oc2ccccc2c2[nH]cc(-c3ccccc3)c12
InChIInChI=1S/C17H11NO2/c19-17-15-13(11-6-2-1-3-7-11)10-18-16(15)12-8-4-5-9-14(12)20-17/h1-10,18H
InChIKeyHAPXNXZZMBATRV-UHFFFAOYSA-N
XLogP3.94
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-phenyl-1H-chromeno[4,3-b]pyrrol-4-one?
The IUPAC name of 3-phenyl-1H-chromeno[4,3-b]pyrrol-4-one (CID 15419530) is 3-phenyl-1H-chromeno[4,3-b]pyrrol-4-one.
What is the SMILES notation for 3-phenyl-1H-chromeno[4,3-b]pyrrol-4-one?
The canonical SMILES for 3-phenyl-1H-chromeno[4,3-b]pyrrol-4-one is O=c1oc2ccccc2c2[nH]cc(-c3ccccc3)c12.
What is the InChIKey of 3-phenyl-1H-chromeno[4,3-b]pyrrol-4-one?
The InChIKey is HAPXNXZZMBATRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO2/c19-17-15-13(11-6-2-1-3-7-11)10-18-16(15)12-8-4-5-9-14(12)20-17/h1-10,18H.
What are the key properties of 3-phenyl-1H-chromeno[4,3-b]pyrrol-4-one?
3-phenyl-1H-chromeno[4,3-b]pyrrol-4-one has a molecular weight of 261.28 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1H-chromeno[4,3-b]pyrrol-4-one is sourced from PubChem (CID 15419530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).