4-(hydroxymethyl)-1-(2-quinoxalin-6-ylethyl)pyrrolidin-2-one

C15H17N3O2 — CID 168663108

IUPAC4-(hydroxymethyl)-1-(2-quinoxalin-6-ylethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1CCc1ccc2nccnc2c1
InChIInChI=1S/C15H17N3O2/c19-10-12-8-15(20)18(9-12)6-3-11-1-2-13-14(7-11)17-5-4-16-13/h1-2,4-5,7,12,19H,3,6,8-10H2
InChIKeyKVEXQHFCLIXHDJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.01
Rot. Bonds4

About 4-(hydroxymethyl)-1-(2-quinoxalin-6-ylethyl)pyrrolidin-2-one

4-(hydroxymethyl)-1-(2-quinoxalin-6-ylethyl)pyrrolidin-2-one (PubChem CID 168663108) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-(2-quinoxalin-6-ylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-(2-quinoxalin-6-ylethyl)pyrrolidin-2-one
PubChem CID168663108
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-(hydroxymethyl)-1-(2-quinoxalin-6-ylethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1CCc1ccc2nccnc2c1
InChIInChI=1S/C15H17N3O2/c19-10-12-8-15(20)18(9-12)6-3-11-1-2-13-14(7-11)17-5-4-16-13/h1-2,4-5,7,12,19H,3,6,8-10H2
InChIKeyKVEXQHFCLIXHDJ-UHFFFAOYSA-N
XLogP1.01
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-1-(2-quinoxalin-6-ylethyl)pyrrolidine-3-sulfonyl fluoride
CID 168714914
1-[2-(3-bromophenyl)ethyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663110
4-(chloromethyl)-1-(2-quinolin-6-ylethyl)pyrrolidin-2-one
CID 168508323
4-hydroxy-1-(2-quinolin-6-ylethyl)pyrrolidin-2-one
CID 168702962
4-(hydroxymethyl)-1-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidin-2-one
CID 168663095
5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylic acid
CID 168691392
4-ethenyl-1-(quinoxalin-6-ylmethyl)pyrrolidin-2-one
CID 168685460
4-(bromomethyl)-1-[2-(3,4-dichlorophenyl)ethyl]pyrrolidin-2-one
CID 168504956
1-[2-(1H-benzimidazol-2-yl)ethyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663130
4-(hydroxymethyl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-2-one
CID 168662744
4-ethynyl-1-(quinoxalin-6-ylmethyl)pyrrolidin-2-one
CID 168501821
methyl 5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylate
CID 168694195

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-(2-quinoxalin-6-ylethyl)pyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-(2-quinoxalin-6-ylethyl)pyrrolidin-2-one (CID 168663108) is 4-(hydroxymethyl)-1-(2-quinoxalin-6-ylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-(2-quinoxalin-6-ylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-(2-quinoxalin-6-ylethyl)pyrrolidin-2-one is O=C1CC(CO)CN1CCc1ccc2nccnc2c1.
What is the InChIKey of 4-(hydroxymethyl)-1-(2-quinoxalin-6-ylethyl)pyrrolidin-2-one?
The InChIKey is KVEXQHFCLIXHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-10-12-8-15(20)18(9-12)6-3-11-1-2-13-14(7-11)17-5-4-16-13/h1-2,4-5,7,12,19H,3,6,8-10H2.
What are the key properties of 4-(hydroxymethyl)-1-(2-quinoxalin-6-ylethyl)pyrrolidin-2-one?
4-(hydroxymethyl)-1-(2-quinoxalin-6-ylethyl)pyrrolidin-2-one has a molecular weight of 271.32 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-(2-quinoxalin-6-ylethyl)pyrrolidin-2-one is sourced from PubChem (CID 168663108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).