1-(1-methyl-5-oxopyrrolidin-2-yl)quinoxalin-2-one

C13H13N3O2 — CID 175763985

IUPAC1-(1-methyl-5-oxopyrrolidin-2-yl)quinoxalin-2-one
SMILESCN1C(=O)CCC1n1c(=O)cnc2ccccc21
InChIInChI=1S/C13H13N3O2/c1-15-11(6-7-12(15)17)16-10-5-3-2-4-9(10)14-8-13(16)18/h2-5,8,11H,6-7H2,1H3
InChIKeyYUNMNBXMXPYDCE-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.15
Rot. Bonds1

About 1-(1-methyl-5-oxopyrrolidin-2-yl)quinoxalin-2-one

1-(1-methyl-5-oxopyrrolidin-2-yl)quinoxalin-2-one (PubChem CID 175763985) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 1-(1-methyl-5-oxopyrrolidin-2-yl)quinoxalin-2-one.

Molecular Properties

Compound Name1-(1-methyl-5-oxopyrrolidin-2-yl)quinoxalin-2-one
PubChem CID175763985
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name1-(1-methyl-5-oxopyrrolidin-2-yl)quinoxalin-2-one
SMILESCN1C(=O)CCC1n1c(=O)cnc2ccccc21
InChIInChI=1S/C13H13N3O2/c1-15-11(6-7-12(15)17)16-10-5-3-2-4-9(10)14-8-13(16)18/h2-5,8,11H,6-7H2,1H3
InChIKeyYUNMNBXMXPYDCE-UHFFFAOYSA-N
XLogP1.15
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-morpholin-2-ylquinoxalin-2-one
CID 174769347
1-[3-(cyclopropylamino)propyl]quinoxalin-2-one
CID 61387611
1-bromoquinoxalin-2-one
CID 156781080
1-[2-(cyclopentylamino)ethyl]quinoxalin-2-one
CID 62562653
1-[2-(cyclohexylamino)ethyl]quinoxalin-2-one
CID 62562469
1-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]quinoxalin-2-one
CID 42885478
1-(2-methylphenyl)quinoxalin-2-one
CID 69230394
1-(methylsulfanylmethyl)quinoxalin-2-one
CID 56689697
1-(fluoromethyl)quinoxalin-2-one
CID 140968709
1-[2-(ethylamino)ethyl]quinoxalin-2-one
CID 61387622
1-methyl-5-[(1-methylbenzimidazol-2-yl)amino]piperidin-2-one
CID 64669796
1-(2-morpholin-4-ylethyl)quinoxalin-2-one
CID 142775762

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-5-oxopyrrolidin-2-yl)quinoxalin-2-one?
The IUPAC name of 1-(1-methyl-5-oxopyrrolidin-2-yl)quinoxalin-2-one (CID 175763985) is 1-(1-methyl-5-oxopyrrolidin-2-yl)quinoxalin-2-one.
What is the SMILES notation for 1-(1-methyl-5-oxopyrrolidin-2-yl)quinoxalin-2-one?
The canonical SMILES for 1-(1-methyl-5-oxopyrrolidin-2-yl)quinoxalin-2-one is CN1C(=O)CCC1n1c(=O)cnc2ccccc21.
What is the InChIKey of 1-(1-methyl-5-oxopyrrolidin-2-yl)quinoxalin-2-one?
The InChIKey is YUNMNBXMXPYDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-15-11(6-7-12(15)17)16-10-5-3-2-4-9(10)14-8-13(16)18/h2-5,8,11H,6-7H2,1H3.
What are the key properties of 1-(1-methyl-5-oxopyrrolidin-2-yl)quinoxalin-2-one?
1-(1-methyl-5-oxopyrrolidin-2-yl)quinoxalin-2-one has a molecular weight of 243.27 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-5-oxopyrrolidin-2-yl)quinoxalin-2-one is sourced from PubChem (CID 175763985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).