3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1H-quinoxalin-2-one

C13H15N3O2 — CID 78963602

IUPAC3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1CN1CC[C@@H](O)C1
InChIInChI=1S/C13H15N3O2/c17-9-5-6-16(7-9)8-12-13(18)15-11-4-2-1-3-10(11)14-12/h1-4,9,17H,5-8H2,(H,15,18)/t9-/m1/s1
InChIKeyXXCPCHBWLPJPEN-SECBINFHSA-N
MW245.28 g/mol
LogP0.49
Rot. Bonds2

About 3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1H-quinoxalin-2-one

3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1H-quinoxalin-2-one (PubChem CID 78963602) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1H-quinoxalin-2-one
PubChem CID78963602
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1CN1CC[C@@H](O)C1
InChIInChI=1S/C13H15N3O2/c17-9-5-6-16(7-9)8-12-13(18)15-11-4-2-1-3-10(11)14-12/h1-4,9,17H,5-8H2,(H,15,18)/t9-/m1/s1
InChIKeyXXCPCHBWLPJPEN-SECBINFHSA-N
XLogP0.49
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1H-quinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1H-quinoxalin-2-one (CID 78963602) is 3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1H-quinoxalin-2-one is O=c1[nH]c2ccccc2nc1CN1CC[C@@H](O)C1.
What is the InChIKey of 3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1H-quinoxalin-2-one?
The InChIKey is XXCPCHBWLPJPEN-SECBINFHSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-9-5-6-16(7-9)8-12-13(18)15-11-4-2-1-3-10(11)14-12/h1-4,9,17H,5-8H2,(H,15,18)/t9-/m1/s1.
What are the key properties of 3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1H-quinoxalin-2-one?
3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1H-quinoxalin-2-one has a molecular weight of 245.28 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 78963602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).