1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-2-one

C19H19NO2 — CID 82540699

IUPAC1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(-c2ccc3c(c2)CCN3C(C)=O)cc1
InChIInChI=1S/C19H19NO2/c1-13(21)11-15-3-5-16(6-4-15)17-7-8-19-18(12-17)9-10-20(19)14(2)22/h3-8,12H,9-11H2,1-2H3
InChIKeyQTQWOGDQDVOTTL-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.39
Rot. Bonds3

About 1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-2-one

1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-2-one (PubChem CID 82540699) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-2-one
PubChem CID82540699
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(-c2ccc3c(c2)CCN3C(C)=O)cc1
InChIInChI=1S/C19H19NO2/c1-13(21)11-15-3-5-16(6-4-15)17-7-8-19-18(12-17)9-10-20(19)14(2)22/h3-8,12H,9-11H2,1-2H3
InChIKeyQTQWOGDQDVOTTL-UHFFFAOYSA-N
XLogP3.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]acetic acid
CID 129145060
1-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]propan-2-one
CID 82540729
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one
CID 82540698
4-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]-3-methylbutanoic acid
CID 110447520
2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]-N-(2-hydroxyethyl)acetamide
CID 129145256
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-methylbenzamide
CID 53109968
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(4-chlorophenyl)methyl]benzamide
CID 53043801
2-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid
CID 20618502
1-acetyl-N-[(2R)-1-(4-phenylphenyl)propan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 51959933
methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618
1-[6-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 21254818
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-cycloheptylbenzamide
CID 53043799

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-2-one?
The IUPAC name of 1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-2-one (CID 82540699) is 1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-2-one.
What is the SMILES notation for 1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-2-one?
The canonical SMILES for 1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-2-one is CC(=O)Cc1ccc(-c2ccc3c(c2)CCN3C(C)=O)cc1.
What is the InChIKey of 1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-2-one?
The InChIKey is QTQWOGDQDVOTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-13(21)11-15-3-5-16(6-4-15)17-7-8-19-18(12-17)9-10-20(19)14(2)22/h3-8,12H,9-11H2,1-2H3.
What are the key properties of 1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-2-one?
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-2-one has a molecular weight of 293.37 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-2-one is sourced from PubChem (CID 82540699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).