1-(2,3-dihydroindol-1-yl)-3-pyridin-2-ylpropan-1-one

C16H16N2O — CID 110389221

IUPAC1-(2,3-dihydroindol-1-yl)-3-pyridin-2-ylpropan-1-one
SMILESO=C(CCc1ccccn1)N1CCc2ccccc21
InChIInChI=1S/C16H16N2O/c19-16(9-8-14-6-3-4-11-17-14)18-12-10-13-5-1-2-7-15(13)18/h1-7,11H,8-10,12H2
InChIKeyXMQKMOUQXWEBLM-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.60
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-3-pyridin-2-ylpropan-1-one

1-(2,3-dihydroindol-1-yl)-3-pyridin-2-ylpropan-1-one (PubChem CID 110389221) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-3-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-3-pyridin-2-ylpropan-1-one
PubChem CID110389221
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1-(2,3-dihydroindol-1-yl)-3-pyridin-2-ylpropan-1-one
SMILESO=C(CCc1ccccn1)N1CCc2ccccc21
InChIInChI=1S/C16H16N2O/c19-16(9-8-14-6-3-4-11-17-14)18-12-10-13-5-1-2-7-15(13)18/h1-7,11H,8-10,12H2
InChIKeyXMQKMOUQXWEBLM-UHFFFAOYSA-N
XLogP2.60
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
N-methyl-1-(3-pyridin-2-ylpropanoyl)-2,3-dihydroindole-5-sulfonamide
CID 60612946
1-(2,3-dihydroindol-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one
CID 110388352
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one
CID 109023365
3-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 110330168
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
CID 109034718
6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid
CID 22906002
2-(2,3-dihydroindol-1-yl)-2-oxoethanesulfonyl chloride
CID 99980595
1-(2,3-dihydroindol-1-yl)undecan-1-one
CID 4052782
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CID 3742272

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-pyridin-2-ylpropan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-pyridin-2-ylpropan-1-one (CID 110389221) is 1-(2,3-dihydroindol-1-yl)-3-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-3-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-3-pyridin-2-ylpropan-1-one is O=C(CCc1ccccn1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-3-pyridin-2-ylpropan-1-one?
The InChIKey is XMQKMOUQXWEBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c19-16(9-8-14-6-3-4-11-17-14)18-12-10-13-5-1-2-7-15(13)18/h1-7,11H,8-10,12H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-3-pyridin-2-ylpropan-1-one?
1-(2,3-dihydroindol-1-yl)-3-pyridin-2-ylpropan-1-one has a molecular weight of 252.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-3-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 110389221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).