1-[2-(2,3-dihydroindol-1-yl)ethyl]-4-hydroxypyrrolidin-2-one

C14H18N2O2 — CID 168702898

IUPAC1-[2-(2,3-dihydroindol-1-yl)ethyl]-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1CCN1CCc2ccccc21
InChIInChI=1S/C14H18N2O2/c17-12-9-14(18)16(10-12)8-7-15-6-5-11-3-1-2-4-13(11)15/h1-4,12,17H,5-10H2
InChIKeyNMAKLNSJFCNFBY-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.64
Rot. Bonds3

About 1-[2-(2,3-dihydroindol-1-yl)ethyl]-4-hydroxypyrrolidin-2-one

1-[2-(2,3-dihydroindol-1-yl)ethyl]-4-hydroxypyrrolidin-2-one (PubChem CID 168702898) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[2-(2,3-dihydroindol-1-yl)ethyl]-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2,3-dihydroindol-1-yl)ethyl]-4-hydroxypyrrolidin-2-one
PubChem CID168702898
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[2-(2,3-dihydroindol-1-yl)ethyl]-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1CCN1CCc2ccccc21
InChIInChI=1S/C14H18N2O2/c17-12-9-14(18)16(10-12)8-7-15-6-5-11-3-1-2-4-13(11)15/h1-4,12,17H,5-10H2
InChIKeyNMAKLNSJFCNFBY-UHFFFAOYSA-N
XLogP0.64
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,3-dihydroindol-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718162
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CID 169005265
1-(2-iodoethyl)-2,3-dihydroindole
CID 131082836
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
1-(3-methylbutyl)-2,3-dihydroindole
CID 143815180
1-[2-(azepan-1-yl)ethyl]-2,3-dihydroindole
CID 54806650
N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 110620154
1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
CID 109034718
(8R,9aS)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-8-hydroxy-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 50978515
1-butyl-2,3-dihydroindole
CID 4167209
2,3-dihydroindol-1-ylmethylphosphonic acid
CID 53215241
[(2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]morpholin-2-yl]methanol
CID 71062870

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)ethyl]-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)ethyl]-4-hydroxypyrrolidin-2-one (CID 168702898) is 1-[2-(2,3-dihydroindol-1-yl)ethyl]-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2,3-dihydroindol-1-yl)ethyl]-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-[2-(2,3-dihydroindol-1-yl)ethyl]-4-hydroxypyrrolidin-2-one is O=C1CC(O)CN1CCN1CCc2ccccc21.
What is the InChIKey of 1-[2-(2,3-dihydroindol-1-yl)ethyl]-4-hydroxypyrrolidin-2-one?
The InChIKey is NMAKLNSJFCNFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-12-9-14(18)16(10-12)8-7-15-6-5-11-3-1-2-4-13(11)15/h1-4,12,17H,5-10H2.
What are the key properties of 1-[2-(2,3-dihydroindol-1-yl)ethyl]-4-hydroxypyrrolidin-2-one?
1-[2-(2,3-dihydroindol-1-yl)ethyl]-4-hydroxypyrrolidin-2-one has a molecular weight of 246.31 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydroindol-1-yl)ethyl]-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168702898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).