3-(1H-indol-3-yl)chromen-4-one

C17H11NO2 — CID 57163340

IUPAC3-(1H-indol-3-yl)chromen-4-one
SMILESO=c1c(-c2c[nH]c3ccccc23)coc2ccccc12
InChIInChI=1S/C17H11NO2/c19-17-12-6-2-4-8-16(12)20-10-14(17)13-9-18-15-7-3-1-5-11(13)15/h1-10,18H
InChIKeyJUVIXGOTSUKDDS-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.94
Rot. Bonds1

About 3-(1H-indol-3-yl)chromen-4-one

3-(1H-indol-3-yl)chromen-4-one (PubChem CID 57163340) has the molecular formula C17H11NO2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)chromen-4-one.

Molecular Properties

Compound Name3-(1H-indol-3-yl)chromen-4-one
PubChem CID57163340
Molecular FormulaC17H11NO2
Molecular Weight261.28 g/mol
Exact Mass261.08
IUPAC Name3-(1H-indol-3-yl)chromen-4-one
SMILESO=c1c(-c2c[nH]c3ccccc23)coc2ccccc12
InChIInChI=1S/C17H11NO2/c19-17-12-6-2-4-8-16(12)20-10-14(17)13-9-18-15-7-3-1-5-11(13)15/h1-10,18H
InChIKeyJUVIXGOTSUKDDS-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

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)chromen-4-one?
The IUPAC name of 3-(1H-indol-3-yl)chromen-4-one (CID 57163340) is 3-(1H-indol-3-yl)chromen-4-one.
What is the SMILES notation for 3-(1H-indol-3-yl)chromen-4-one?
The canonical SMILES for 3-(1H-indol-3-yl)chromen-4-one is O=c1c(-c2c[nH]c3ccccc23)coc2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)chromen-4-one?
The InChIKey is JUVIXGOTSUKDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO2/c19-17-12-6-2-4-8-16(12)20-10-14(17)13-9-18-15-7-3-1-5-11(13)15/h1-10,18H.
What are the key properties of 3-(1H-indol-3-yl)chromen-4-one?
3-(1H-indol-3-yl)chromen-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-(1H-indol-3-yl)chromen-4-one is sourced from PubChem (CID 57163340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).