1-[4-(1H-indole-2-carbonyl)phenyl]ethanone

C17H13NO2 — CID 139733709

IUPAC1-[4-(1H-indole-2-carbonyl)phenyl]ethanone
SMILESCC(=O)c1ccc(C(=O)c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H13NO2/c1-11(19)12-6-8-13(9-7-12)17(20)16-10-14-4-2-3-5-15(14)18-16/h2-10,18H,1H3
InChIKeyQYHTZMIJHSPIQI-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.60
Rot. Bonds3

About 1-[4-(1H-indole-2-carbonyl)phenyl]ethanone

1-[4-(1H-indole-2-carbonyl)phenyl]ethanone (PubChem CID 139733709) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-[4-(1H-indole-2-carbonyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(1H-indole-2-carbonyl)phenyl]ethanone
PubChem CID139733709
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name1-[4-(1H-indole-2-carbonyl)phenyl]ethanone
SMILESCC(=O)c1ccc(C(=O)c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H13NO2/c1-11(19)12-6-8-13(9-7-12)17(20)16-10-14-4-2-3-5-15(14)18-16/h2-10,18H,1H3
InChIKeyQYHTZMIJHSPIQI-UHFFFAOYSA-N
XLogP3.60
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1H-indole-2-carboxylic acid
CID 91052830
2,5-bis(1H-indole-2-carbonyl)terephthalic acid
CID 70529357
(5-methyl-1H-indol-2-yl)-(4-methylphenyl)methanone
CID 59088766
1H-indole-2-carbothioic S-acid
CID 4713092
1-[4-[4-(1H-indole-2-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 9188693
1H-indol-2-yl(thiophen-2-yl)methanone
CID 102431205
1H-indol-2-yl-(4-methoxy-1H-indol-2-yl)methanone
CID 11543838
1-benzothiophen-2-yl(1H-indol-2-yl)methanone
CID 134955887
2-[2-(1H-indol-2-yl)-1,2-diphenylethenyl]-1H-indole
CID 141243954
chloro 1H-indole-2-carboxylate
CID 68813525
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
(5,6-dichloro-1H-indol-2-yl)-phenylmethanone
CID 23003502

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-indole-2-carbonyl)phenyl]ethanone?
The IUPAC name of 1-[4-(1H-indole-2-carbonyl)phenyl]ethanone (CID 139733709) is 1-[4-(1H-indole-2-carbonyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(1H-indole-2-carbonyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(1H-indole-2-carbonyl)phenyl]ethanone is CC(=O)c1ccc(C(=O)c2cc3ccccc3[nH]2)cc1.
What is the InChIKey of 1-[4-(1H-indole-2-carbonyl)phenyl]ethanone?
The InChIKey is QYHTZMIJHSPIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c1-11(19)12-6-8-13(9-7-12)17(20)16-10-14-4-2-3-5-15(14)18-16/h2-10,18H,1H3.
What are the key properties of 1-[4-(1H-indole-2-carbonyl)phenyl]ethanone?
1-[4-(1H-indole-2-carbonyl)phenyl]ethanone has a molecular weight of 263.30 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-indole-2-carbonyl)phenyl]ethanone is sourced from PubChem (CID 139733709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).