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

C19H19NO2 — CID 82540698

IUPAC1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(-c2ccc3c(c2)CCN3C(C)=O)cc1
InChIInChI=1S/C19H19NO2/c1-3-19(22)15-6-4-14(5-7-15)16-8-9-18-17(12-16)10-11-20(18)13(2)21/h4-9,12H,3,10-11H2,1-2H3
InChIKeyHIPZYMPWMALTQR-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.86
Rot. Bonds3

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

1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one (PubChem CID 82540698) 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-1-one.

Molecular Properties

Compound Name1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one
PubChem CID82540698
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(-c2ccc3c(c2)CCN3C(C)=O)cc1
InChIInChI=1S/C19H19NO2/c1-3-19(22)15-6-4-14(5-7-15)16-8-9-18-17(12-16)10-11-20(18)13(2)21/h4-9,12H,3,10-11H2,1-2H3
InChIKeyHIPZYMPWMALTQR-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-acetyl-2,3-dihydroindol-5-yl)-N-methylbenzamide
CID 53109968
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-2-one
CID 82540699
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-cycloheptylbenzamide
CID 53043799
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(4-chlorophenyl)methyl]benzamide
CID 53043801
1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)propan-1-one
CID 43164765
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 53109956
4-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]-3-methylbutanoic acid
CID 110447520
3-(3-fluorophenyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one
CID 167657587
methyl 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-oxobutanoate
CID 82347038
2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]acetic acid
CID 129145060
1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide
CID 43048030
1-[5-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-2,3-dihydroindol-1-yl]ethanone
CID 53109962

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one?
The IUPAC name of 1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one (CID 82540698) is 1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one.
What is the SMILES notation for 1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one?
The canonical SMILES for 1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one is CCC(=O)c1ccc(-c2ccc3c(c2)CCN3C(C)=O)cc1.
What is the InChIKey of 1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one?
The InChIKey is HIPZYMPWMALTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-3-19(22)15-6-4-14(5-7-15)16-8-9-18-17(12-16)10-11-20(18)13(2)21/h4-9,12H,3,10-11H2,1-2H3.
What are the key properties of 1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one?
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one has a molecular weight of 293.37 g/mol, XLogP of 3.86, 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-1-one is sourced from PubChem (CID 82540698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).