(2aR)-2a,4-dihydro-2H-azeto[1,2-a]quinoxaline-1,3-dione

C10H8N2O2 — CID 29021487

IUPAC(2aR)-2a,4-dihydro-2H-azeto[1,2-a]quinoxaline-1,3-dione
SMILESO=C1Nc2ccccc2N2C(=O)C[C@H]12
InChIInChI=1S/C10H8N2O2/c13-9-5-8-10(14)11-6-3-1-2-4-7(6)12(8)9/h1-4,8H,5H2,(H,11,14)/t8-/m1/s1
InChIKeyKQDBFSGEEIDNOV-MRVPVSSYSA-N
MW188.19 g/mol
LogP0.74
Rot. Bonds

About (2aR)-2a,4-dihydro-2H-azeto[1,2-a]quinoxaline-1,3-dione

(2aR)-2a,4-dihydro-2H-azeto[1,2-a]quinoxaline-1,3-dione (PubChem CID 29021487) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is (2aR)-2a,4-dihydro-2H-azeto[1,2-a]quinoxaline-1,3-dione.

Molecular Properties

Compound Name(2aR)-2a,4-dihydro-2H-azeto[1,2-a]quinoxaline-1,3-dione
PubChem CID29021487
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name(2aR)-2a,4-dihydro-2H-azeto[1,2-a]quinoxaline-1,3-dione
SMILESO=C1Nc2ccccc2N2C(=O)C[C@H]12
InChIInChI=1S/C10H8N2O2/c13-9-5-8-10(14)11-6-3-1-2-4-7(6)12(8)9/h1-4,8H,5H2,(H,11,14)/t8-/m1/s1
InChIKeyKQDBFSGEEIDNOV-MRVPVSSYSA-N
XLogP0.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 3127917
1,5,8-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,12,14,16-hexaen-9-one
CID 79291073
3-oxo-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one
CID 105357127
1-(3-chlorophenyl)-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 86585689
3-(2-oxo-5-phenyl-3,4-dihydroquinolin-1-yl)pyrrolidine-2,5-dione
CID 170614950
(3S)-4-(3,5-dichlorophenyl)-3-methyl-1,3-dihydroquinoxalin-2-one
CID 132603334
12,12,14,14-tetramethyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one
CID 90243737
6a,7,8,11-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,9-dione
CID 11820613
3-(2-oxobenzo[cd]indol-1-yl)pyrrolidine-2,5-dione
CID 167009255
2-[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]isoindole-1,3-dione
CID 92977923
2-(3-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)acetic acid
CID 119994276
(3aS)-10,10-dioxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-b][1,2,5]benzothiadiazepin-4-one
CID 59684194

Frequently Asked Questions

What is the IUPAC name of (2aR)-2a,4-dihydro-2H-azeto[1,2-a]quinoxaline-1,3-dione?
The IUPAC name of (2aR)-2a,4-dihydro-2H-azeto[1,2-a]quinoxaline-1,3-dione (CID 29021487) is (2aR)-2a,4-dihydro-2H-azeto[1,2-a]quinoxaline-1,3-dione.
What is the SMILES notation for (2aR)-2a,4-dihydro-2H-azeto[1,2-a]quinoxaline-1,3-dione?
The canonical SMILES for (2aR)-2a,4-dihydro-2H-azeto[1,2-a]quinoxaline-1,3-dione is O=C1Nc2ccccc2N2C(=O)C[C@H]12.
What is the InChIKey of (2aR)-2a,4-dihydro-2H-azeto[1,2-a]quinoxaline-1,3-dione?
The InChIKey is KQDBFSGEEIDNOV-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-9-5-8-10(14)11-6-3-1-2-4-7(6)12(8)9/h1-4,8H,5H2,(H,11,14)/t8-/m1/s1.
What are the key properties of (2aR)-2a,4-dihydro-2H-azeto[1,2-a]quinoxaline-1,3-dione?
(2aR)-2a,4-dihydro-2H-azeto[1,2-a]quinoxaline-1,3-dione has a molecular weight of 188.19 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2aR)-2a,4-dihydro-2H-azeto[1,2-a]quinoxaline-1,3-dione is sourced from PubChem (CID 29021487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).