6-(2-oxopyrrolidin-1-yl)-4H-pyrido[3,2-b][1,4]oxazin-3-one

C11H11N3O3 — CID 144568295

IUPAC6-(2-oxopyrrolidin-1-yl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(N3CCCC3=O)nc2N1
InChIInChI=1S/C11H11N3O3/c15-9-6-17-7-3-4-8(12-11(7)13-9)14-5-1-2-10(14)16/h3-4H,1-2,5-6H2,(H,12,13,15)
InChIKeySJOMFZQNPOSYND-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.54
Rot. Bonds1

About 6-(2-oxopyrrolidin-1-yl)-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-(2-oxopyrrolidin-1-yl)-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 144568295) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 6-(2-oxopyrrolidin-1-yl)-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-(2-oxopyrrolidin-1-yl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID144568295
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name6-(2-oxopyrrolidin-1-yl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(N3CCCC3=O)nc2N1
InChIInChI=1S/C11H11N3O3/c15-9-6-17-7-3-4-8(12-11(7)13-9)14-5-1-2-10(14)16/h3-4H,1-2,5-6H2,(H,12,13,15)
InChIKeySJOMFZQNPOSYND-UHFFFAOYSA-N
XLogP0.54
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-oxopyrrolidin-1-yl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-(2-oxopyrrolidin-1-yl)-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 144568295) is 6-(2-oxopyrrolidin-1-yl)-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-(2-oxopyrrolidin-1-yl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-(2-oxopyrrolidin-1-yl)-4H-pyrido[3,2-b][1,4]oxazin-3-one is O=C1COc2ccc(N3CCCC3=O)nc2N1.
What is the InChIKey of 6-(2-oxopyrrolidin-1-yl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is SJOMFZQNPOSYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c15-9-6-17-7-3-4-8(12-11(7)13-9)14-5-1-2-10(14)16/h3-4H,1-2,5-6H2,(H,12,13,15).
What are the key properties of 6-(2-oxopyrrolidin-1-yl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-(2-oxopyrrolidin-1-yl)-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 233.23 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxopyrrolidin-1-yl)-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 144568295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).