(3-ethenyl-1H-indol-2-yl)-phenylmethanone

C17H13NO — CID 102499335

IUPAC(3-ethenyl-1H-indol-2-yl)-phenylmethanone
SMILESC=Cc1c(C(=O)c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C17H13NO/c1-2-13-14-10-6-7-11-15(14)18-16(13)17(19)12-8-4-3-5-9-12/h2-11,18H,1H2
InChIKeyWHTNXJQQRNIVHB-UHFFFAOYSA-N
MW247.30 g/mol
LogP4.04
Rot. Bonds3

About (3-ethenyl-1H-indol-2-yl)-phenylmethanone

(3-ethenyl-1H-indol-2-yl)-phenylmethanone (PubChem CID 102499335) has the molecular formula C17H13NO and a molecular weight of 247.30 g/mol. Its IUPAC name is (3-ethenyl-1H-indol-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-ethenyl-1H-indol-2-yl)-phenylmethanone
PubChem CID102499335
Molecular FormulaC17H13NO
Molecular Weight247.30 g/mol
Exact Mass247.10
IUPAC Name(3-ethenyl-1H-indol-2-yl)-phenylmethanone
SMILESC=Cc1c(C(=O)c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C17H13NO/c1-2-13-14-10-6-7-11-15(14)18-16(13)17(19)12-8-4-3-5-9-12/h2-11,18H,1H2
InChIKeyWHTNXJQQRNIVHB-UHFFFAOYSA-N
XLogP4.04
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-benzoyl-1H-indole-2-carboxylic acid
CID 22917099
2-benzoyl-3-phenyl-1H-quinolin-4-one
CID 132534400
2-benzoyl-4-bromo-1H-indole-3-carbaldehyde
CID 175699295
(2-fluoro-1H-indol-3-yl)-phenylmethanone
CID 175455866
2-benzoyl-1H-indole-3,4,5-tricarbaldehyde
CID 172559621
benzoic acid;9H-carbazole
CID 162147282
1-[3-[(dimethylhydrazinylidene)methyl]-1H-indol-2-yl]-2-phenylethane-1,2-dione
CID 137235388
2-benzoyl-3-(4-chlorophenyl)-1H-quinolin-4-one
CID 132534397
9H-carbazole;phenyl-[2-(2-phenylethenyl)phenyl]methanone
CID 162206940
phenyl-[2-[(E)-2-phenylethenyl]-1H-indol-3-yl]methanone
CID 10314121
bis(3-hydroxy-1H-indol-2-yl)methanone
CID 151180929
9H-carbazole;carbonic acid
CID 67577328

Frequently Asked Questions

What is the IUPAC name of (3-ethenyl-1H-indol-2-yl)-phenylmethanone?
The IUPAC name of (3-ethenyl-1H-indol-2-yl)-phenylmethanone (CID 102499335) is (3-ethenyl-1H-indol-2-yl)-phenylmethanone.
What is the SMILES notation for (3-ethenyl-1H-indol-2-yl)-phenylmethanone?
The canonical SMILES for (3-ethenyl-1H-indol-2-yl)-phenylmethanone is C=Cc1c(C(=O)c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of (3-ethenyl-1H-indol-2-yl)-phenylmethanone?
The InChIKey is WHTNXJQQRNIVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO/c1-2-13-14-10-6-7-11-15(14)18-16(13)17(19)12-8-4-3-5-9-12/h2-11,18H,1H2.
What are the key properties of (3-ethenyl-1H-indol-2-yl)-phenylmethanone?
(3-ethenyl-1H-indol-2-yl)-phenylmethanone has a molecular weight of 247.30 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethenyl-1H-indol-2-yl)-phenylmethanone is sourced from PubChem (CID 102499335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).