1-indol-1-yl-2-phenylethanone

C16H13NO — CID 118536016

IUPAC1-indol-1-yl-2-phenylethanone
SMILESO=C(Cc1ccccc1)n1ccc2ccccc21
InChIInChI=1S/C16H13NO/c18-16(12-13-6-2-1-3-7-13)17-11-10-14-8-4-5-9-15(14)17/h1-11H,12H2
InChIKeyYRBMRMXMPLJFGF-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.52
Rot. Bonds2

About 1-indol-1-yl-2-phenylethanone

1-indol-1-yl-2-phenylethanone (PubChem CID 118536016) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-indol-1-yl-2-phenylethanone.

Molecular Properties

Compound Name1-indol-1-yl-2-phenylethanone
PubChem CID118536016
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name1-indol-1-yl-2-phenylethanone
SMILESO=C(Cc1ccccc1)n1ccc2ccccc21
InChIInChI=1S/C16H13NO/c18-16(12-13-6-2-1-3-7-13)17-11-10-14-8-4-5-9-15(14)17/h1-11H,12H2
InChIKeyYRBMRMXMPLJFGF-UHFFFAOYSA-N
XLogP3.52
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-indol-1-yl-4-oxobutanamide
CID 84553197
2-phenyl-1-(2-sulfanylidenequinolin-1-yl)ethanone
CID 4182498
1-indol-1-yl-2-methylpropan-1-one
CID 12637473
3-phenylpropyl indole-1-carboxylate
CID 86239500
4-indol-1-yl-N-methyl-4-oxobutanamide
CID 84556822
1-indol-1-ylethanone;hydrochloride
CID 21333501
1-(2-phenylacetyl)pyrrole-2-carboxylic acid
CID 138559871
N'-(2-indol-1-ylacetyl)-2-phenylacetohydrazide
CID 17080293
(E)-4-indol-1-yl-4-oxobut-2-enoic acid
CID 1201177
4-[(4-indol-1-yl-4-oxobutanoyl)amino]butanoic acid
CID 84556637
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-indol-1-ylethanone
CID 118225626
fluoro indole-1-carboxylate
CID 129249849

Frequently Asked Questions

What is the IUPAC name of 1-indol-1-yl-2-phenylethanone?
The IUPAC name of 1-indol-1-yl-2-phenylethanone (CID 118536016) is 1-indol-1-yl-2-phenylethanone.
What is the SMILES notation for 1-indol-1-yl-2-phenylethanone?
The canonical SMILES for 1-indol-1-yl-2-phenylethanone is O=C(Cc1ccccc1)n1ccc2ccccc21.
What is the InChIKey of 1-indol-1-yl-2-phenylethanone?
The InChIKey is YRBMRMXMPLJFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c18-16(12-13-6-2-1-3-7-13)17-11-10-14-8-4-5-9-15(14)17/h1-11H,12H2.
What are the key properties of 1-indol-1-yl-2-phenylethanone?
1-indol-1-yl-2-phenylethanone has a molecular weight of 235.29 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-indol-1-yl-2-phenylethanone is sourced from PubChem (CID 118536016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).