1,3-bis(2,3-dihydroindol-1-yl)propan-1-one

C19H20N2O — CID 109034718

IUPAC1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
SMILESO=C(CCN1CCc2ccccc21)N1CCc2ccccc21
InChIInChI=1S/C19H20N2O/c22-19(21-14-10-16-6-2-4-8-18(16)21)11-13-20-12-9-15-5-1-3-7-17(15)20/h1-8H,9-14H2
InChIKeyYYTBIVBLBPKESS-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.03
Rot. Bonds3

About 1,3-bis(2,3-dihydroindol-1-yl)propan-1-one

1,3-bis(2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 109034718) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 1,3-bis(2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
PubChem CID109034718
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
SMILESO=C(CCN1CCc2ccccc21)N1CCc2ccccc21
InChIInChI=1S/C19H20N2O/c22-19(21-14-10-16-6-2-4-8-18(16)21)11-13-20-12-9-15-5-1-3-7-17(15)20/h1-8H,9-14H2
InChIKeyYYTBIVBLBPKESS-UHFFFAOYSA-N
XLogP3.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 741114
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CID 3096475
3-(4-acetylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 110665042
6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid
CID 22906002
1-(2,3-dihydroindol-1-yl)undecan-1-one
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CID 3742272
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
(3aR,7aS)-2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 7768541
1-(azepan-1-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
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N-butan-2-yl-3-(2,3-dihydroindol-1-yl)propanamide
CID 109012970
1-(2,3-dihydroindol-1-yl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 30099955
1-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]pyrrolidine-3-carboxylic acid
CID 119904122

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 1,3-bis(2,3-dihydroindol-1-yl)propan-1-one (CID 109034718) is 1,3-bis(2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 1,3-bis(2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 1,3-bis(2,3-dihydroindol-1-yl)propan-1-one is O=C(CCN1CCc2ccccc21)N1CCc2ccccc21.
What is the InChIKey of 1,3-bis(2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is YYTBIVBLBPKESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c22-19(21-14-10-16-6-2-4-8-18(16)21)11-13-20-12-9-15-5-1-3-7-17(15)20/h1-8H,9-14H2.
What are the key properties of 1,3-bis(2,3-dihydroindol-1-yl)propan-1-one?
1,3-bis(2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 292.38 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 109034718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).