1-[7-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone

C19H19NO — CID 102233606

IUPAC1-[7-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cccc(/C=C/c3ccc(C)cc3)c21
InChIInChI=1S/C19H19NO/c1-14-6-8-16(9-7-14)10-11-17-4-3-5-18-12-13-20(15(2)21)19(17)18/h3-11H,12-13H2,1-2H3/b11-10+
InChIKeyZBKBRWPNPAILNY-ZHACJKMWSA-N
MW277.37 g/mol
LogP4.07
Rot. Bonds2

About 1-[7-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone

1-[7-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 102233606) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[7-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[7-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone
PubChem CID102233606
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name1-[7-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cccc(/C=C/c3ccc(C)cc3)c21
InChIInChI=1S/C19H19NO/c1-14-6-8-16(9-7-14)10-11-17-4-3-5-18-12-13-20(15(2)21)19(17)18/h3-11H,12-13H2,1-2H3/b11-10+
InChIKeyZBKBRWPNPAILNY-ZHACJKMWSA-N
XLogP4.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-[7-[(E)-2-(4-bromophenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone
CID 102233608
1-(7-ethyl-2,3-dihydroindol-1-yl)ethanone
CID 101108036
tert-butyl 7-formyl-2,3-dihydroindole-1-carboxylate
CID 1481360
1-(7-amino-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone
CID 114455761
5-(1-acetyl-2,3-dihydroindol-7-yl)furan-2-carbaldehyde
CID 169332959
N-(1-acetyl-2,3-dihydroindol-7-yl)-2-methylpropanamide
CID 112537152
1-(7-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 23566601
methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618
N-(1-acetyl-2,3-dihydroindol-7-yl)-2-(2-methylphenyl)acetamide
CID 112537144
(E)-1-[2-[(E)-2,3-dihydroindol-1-yliminomethyl]phenyl]-3-(4-methylphenyl)prop-2-en-1-one
CID 53376070
(E)-3-(1-acetyl-2,3-dihydroindol-6-yl)prop-2-enoic acid
CID 70687221
N-(1-acetyl-2,3-dihydroindol-7-yl)-4-bromobenzamide
CID 112537123

Frequently Asked Questions

What is the IUPAC name of 1-[7-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[7-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone (CID 102233606) is 1-[7-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[7-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[7-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cccc(/C=C/c3ccc(C)cc3)c21.
What is the InChIKey of 1-[7-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is ZBKBRWPNPAILNY-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H19NO/c1-14-6-8-16(9-7-14)10-11-17-4-3-5-18-12-13-20(15(2)21)19(17)18/h3-11H,12-13H2,1-2H3/b11-10+.
What are the key properties of 1-[7-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone?
1-[7-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 277.37 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 102233606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).