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

C15H20N2O — CID 42911822

IUPAC1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCc2ccccc21)N1CCCC1
InChIInChI=1S/C15H20N2O/c1-12(16-9-4-5-10-16)15(18)17-11-8-13-6-2-3-7-14(13)17/h2-3,6-7,12H,4-5,8-11H2,1H3
InChIKeyFEEFIBVJWZRKLH-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.06
Rot. Bonds2

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

1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one (PubChem CID 42911822) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one
PubChem CID42911822
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCc2ccccc21)N1CCCC1
InChIInChI=1S/C15H20N2O/c1-12(16-9-4-5-10-16)15(18)17-11-8-13-6-2-3-7-14(13)17/h2-3,6-7,12H,4-5,8-11H2,1H3
InChIKeyFEEFIBVJWZRKLH-UHFFFAOYSA-N
XLogP2.06
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 134062617
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906465
(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethylpiperazin-1-yl)propan-1-one
CID 1439229
1-(2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
CID 4818334
(2S)-1-(2,3-dihydroindol-1-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 8725314
(2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 9207032
(2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 9357311
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one
CID 78786405
ethyl 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 78786194
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
(2S)-1-(2,3-dihydroindol-1-yl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propan-1-one
CID 27206617
1-(2,3-dihydroindol-1-yl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 17411694

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one (CID 42911822) is 1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one is CC(C(=O)N1CCc2ccccc21)N1CCCC1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one?
The InChIKey is FEEFIBVJWZRKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12(16-9-4-5-10-16)15(18)17-11-8-13-6-2-3-7-14(13)17/h2-3,6-7,12H,4-5,8-11H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one?
1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one has a molecular weight of 244.34 g/mol, XLogP of 2.06, 2 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)-2-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 42911822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).