1-[4-[(E)-2-(1-methylindol-3-yl)ethenyl]phenyl]propan-2-one

C20H19NO — CID 89385692

IUPAC1-[4-[(E)-2-(1-methylindol-3-yl)ethenyl]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(/C=C/c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C20H19NO/c1-15(22)13-17-9-7-16(8-10-17)11-12-18-14-21(2)20-6-4-3-5-19(18)20/h3-12,14H,13H2,1-2H3/b12-11+
InChIKeyORQGMOUBSJSGSR-VAWYXSNFSA-N
MW289.38 g/mol
LogP4.48
Rot. Bonds4

About 1-[4-[(E)-2-(1-methylindol-3-yl)ethenyl]phenyl]propan-2-one

1-[4-[(E)-2-(1-methylindol-3-yl)ethenyl]phenyl]propan-2-one (PubChem CID 89385692) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[4-[(E)-2-(1-methylindol-3-yl)ethenyl]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-[(E)-2-(1-methylindol-3-yl)ethenyl]phenyl]propan-2-one
PubChem CID89385692
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name1-[4-[(E)-2-(1-methylindol-3-yl)ethenyl]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(/C=C/c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C20H19NO/c1-15(22)13-17-9-7-16(8-10-17)11-12-18-14-21(2)20-6-4-3-5-19(18)20/h3-12,14H,13H2,1-2H3/b12-11+
InChIKeyORQGMOUBSJSGSR-VAWYXSNFSA-N
XLogP4.48
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-4-(1-methylindol-3-yl)but-3-en-2-one
CID 736407
ethane;(E)-4-(1-methylindol-3-yl)but-3-en-2-one
CID 144546894
1-methyl-3-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]indole
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3-methyl-1-[3-methyl-4-[(E)-2-(1-methylindol-3-yl)ethenyl]phenyl]butan-2-one
CID 58779030
2-(4-hydroxyphenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
CID 110515655
3-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1-methylindole
CID 44516239
(E)-6-(1-methylindol-3-yl)hex-5-enoic acid
CID 82293704
(E)-4-(1-methylindol-3-yl)but-3-en-2-ol
CID 6852139
3-[(E)-2-phenylethenyl]-1-[4-[3-[(E)-2-phenylethenyl]indol-1-yl]butyl]indole
CID 132537089
(E)-4-[4-(2-oxopropyl)phenyl]but-3-en-2-one
CID 130348603
2-aminoacetic acid;1-methylindole-3-carbaldehyde
CID 23295599
1-[3-chloro-4-[(E)-3-(1-methylindol-3-yl)prop-2-enoyl]phenyl]-3-methylbutan-2-one
CID 58778565

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-2-(1-methylindol-3-yl)ethenyl]phenyl]propan-2-one?
The IUPAC name of 1-[4-[(E)-2-(1-methylindol-3-yl)ethenyl]phenyl]propan-2-one (CID 89385692) is 1-[4-[(E)-2-(1-methylindol-3-yl)ethenyl]phenyl]propan-2-one.
What is the SMILES notation for 1-[4-[(E)-2-(1-methylindol-3-yl)ethenyl]phenyl]propan-2-one?
The canonical SMILES for 1-[4-[(E)-2-(1-methylindol-3-yl)ethenyl]phenyl]propan-2-one is CC(=O)Cc1ccc(/C=C/c2cn(C)c3ccccc23)cc1.
What is the InChIKey of 1-[4-[(E)-2-(1-methylindol-3-yl)ethenyl]phenyl]propan-2-one?
The InChIKey is ORQGMOUBSJSGSR-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H19NO/c1-15(22)13-17-9-7-16(8-10-17)11-12-18-14-21(2)20-6-4-3-5-19(18)20/h3-12,14H,13H2,1-2H3/b12-11+.
What are the key properties of 1-[4-[(E)-2-(1-methylindol-3-yl)ethenyl]phenyl]propan-2-one?
1-[4-[(E)-2-(1-methylindol-3-yl)ethenyl]phenyl]propan-2-one has a molecular weight of 289.38 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-2-(1-methylindol-3-yl)ethenyl]phenyl]propan-2-one is sourced from PubChem (CID 89385692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).