1-(1H-indol-2-yl)-2-phenylethanone

C16H13NO — CID 53323252

IUPAC1-(1H-indol-2-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H13NO/c18-16(10-12-6-2-1-3-7-12)15-11-13-8-4-5-9-14(13)17-15/h1-9,11,17H,10H2
InChIKeyZPNWJGPRXXTUNI-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.59
Rot. Bonds3

About 1-(1H-indol-2-yl)-2-phenylethanone

1-(1H-indol-2-yl)-2-phenylethanone (PubChem CID 53323252) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(1H-indol-2-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(1H-indol-2-yl)-2-phenylethanone
PubChem CID53323252
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name1-(1H-indol-2-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H13NO/c18-16(10-12-6-2-1-3-7-12)15-11-13-8-4-5-9-14(13)17-15/h1-9,11,17H,10H2
InChIKeyZPNWJGPRXXTUNI-UHFFFAOYSA-N
XLogP3.59
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-2-yl)-2-phenylethanone?
The IUPAC name of 1-(1H-indol-2-yl)-2-phenylethanone (CID 53323252) is 1-(1H-indol-2-yl)-2-phenylethanone.
What is the SMILES notation for 1-(1H-indol-2-yl)-2-phenylethanone?
The canonical SMILES for 1-(1H-indol-2-yl)-2-phenylethanone is O=C(Cc1ccccc1)c1cc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-indol-2-yl)-2-phenylethanone?
The InChIKey is ZPNWJGPRXXTUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c18-16(10-12-6-2-1-3-7-12)15-11-13-8-4-5-9-14(13)17-15/h1-9,11,17H,10H2.
What are the key properties of 1-(1H-indol-2-yl)-2-phenylethanone?
1-(1H-indol-2-yl)-2-phenylethanone has a molecular weight of 235.29 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-2-yl)-2-phenylethanone is sourced from PubChem (CID 53323252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).