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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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).