3-(1H-indol-3-yl)chromen-2-one

C17H11NO2 — CID 52915137

IUPAC3-(1H-indol-3-yl)chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1c[nH]c2ccccc12
InChIInChI=1S/C17H11NO2/c19-17-13(9-11-5-1-4-8-16(11)20-17)14-10-18-15-7-3-2-6-12(14)15/h1-10,18H
InChIKeySJINJRAEKWXGKE-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.94
Rot. Bonds1

About 3-(1H-indol-3-yl)chromen-2-one

3-(1H-indol-3-yl)chromen-2-one (PubChem CID 52915137) has the molecular formula C17H11NO2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)chromen-2-one.

Molecular Properties

Compound Name3-(1H-indol-3-yl)chromen-2-one
PubChem CID52915137
Molecular FormulaC17H11NO2
Molecular Weight261.28 g/mol
Exact Mass261.08
IUPAC Name3-(1H-indol-3-yl)chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1c[nH]c2ccccc12
InChIInChI=1S/C17H11NO2/c19-17-13(9-11-5-1-4-8-16(11)20-17)14-10-18-15-7-3-2-6-12(14)15/h1-10,18H
InChIKeySJINJRAEKWXGKE-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-(1H-indol-3-yl)chromen-2-one?
The IUPAC name of 3-(1H-indol-3-yl)chromen-2-one (CID 52915137) is 3-(1H-indol-3-yl)chromen-2-one.
What is the SMILES notation for 3-(1H-indol-3-yl)chromen-2-one?
The canonical SMILES for 3-(1H-indol-3-yl)chromen-2-one is O=c1oc2ccccc2cc1-c1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)chromen-2-one?
The InChIKey is SJINJRAEKWXGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO2/c19-17-13(9-11-5-1-4-8-16(11)20-17)14-10-18-15-7-3-2-6-12(14)15/h1-10,18H.
What are the key properties of 3-(1H-indol-3-yl)chromen-2-one?
3-(1H-indol-3-yl)chromen-2-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-(1H-indol-3-yl)chromen-2-one is sourced from PubChem (CID 52915137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).