3-(1H-indol-3-yl)-1,4-benzoxazin-2-one

C16H10N2O2 — CID 21707

IUPAC3-(1H-indol-3-yl)-1,4-benzoxazin-2-one
SMILESO=c1oc2ccccc2nc1-c1c[nH]c2ccccc12
InChIInChI=1S/C16H10N2O2/c19-16-15(18-13-7-3-4-8-14(13)20-16)11-9-17-12-6-2-1-5-10(11)12/h1-9,17H
InChIKeyJAURZMWTUPUGQM-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.34
Rot. Bonds1

About 3-(1H-indol-3-yl)-1,4-benzoxazin-2-one

3-(1H-indol-3-yl)-1,4-benzoxazin-2-one (PubChem CID 21707) has the molecular formula C16H10N2O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-1,4-benzoxazin-2-one.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-1,4-benzoxazin-2-one
PubChem CID21707
Molecular FormulaC16H10N2O2
Molecular Weight262.27 g/mol
Exact Mass262.07
IUPAC Name3-(1H-indol-3-yl)-1,4-benzoxazin-2-one
SMILESO=c1oc2ccccc2nc1-c1c[nH]c2ccccc12
InChIInChI=1S/C16H10N2O2/c19-16-15(18-13-7-3-4-8-14(13)20-16)11-9-17-12-6-2-1-5-10(11)12/h1-9,17H
InChIKeyJAURZMWTUPUGQM-UHFFFAOYSA-N
XLogP3.34
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-1,4-benzoxazin-2-one?
The IUPAC name of 3-(1H-indol-3-yl)-1,4-benzoxazin-2-one (CID 21707) is 3-(1H-indol-3-yl)-1,4-benzoxazin-2-one.
What is the SMILES notation for 3-(1H-indol-3-yl)-1,4-benzoxazin-2-one?
The canonical SMILES for 3-(1H-indol-3-yl)-1,4-benzoxazin-2-one is O=c1oc2ccccc2nc1-c1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)-1,4-benzoxazin-2-one?
The InChIKey is JAURZMWTUPUGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2/c19-16-15(18-13-7-3-4-8-14(13)20-16)11-9-17-12-6-2-1-5-10(11)12/h1-9,17H.
What are the key properties of 3-(1H-indol-3-yl)-1,4-benzoxazin-2-one?
3-(1H-indol-3-yl)-1,4-benzoxazin-2-one has a molecular weight of 262.27 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-1,4-benzoxazin-2-one is sourced from PubChem (CID 21707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).