6-(2-methylcyclopropanecarbonyl)-1,4-dihydroquinoxaline-2,3-dione

C13H12N2O3 — CID 43338748

IUPAC6-(2-methylcyclopropanecarbonyl)-1,4-dihydroquinoxaline-2,3-dione
SMILESCC1CC1C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C13H12N2O3/c1-6-4-8(6)11(16)7-2-3-9-10(5-7)15-13(18)12(17)14-9/h2-3,5-6,8H,4H2,1H3,(H,14,17)(H,15,18)
InChIKeyOJUGMRCOPOSSTD-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.06
Rot. Bonds2

About 6-(2-methylcyclopropanecarbonyl)-1,4-dihydroquinoxaline-2,3-dione

6-(2-methylcyclopropanecarbonyl)-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 43338748) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 6-(2-methylcyclopropanecarbonyl)-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-(2-methylcyclopropanecarbonyl)-1,4-dihydroquinoxaline-2,3-dione
PubChem CID43338748
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name6-(2-methylcyclopropanecarbonyl)-1,4-dihydroquinoxaline-2,3-dione
SMILESCC1CC1C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C13H12N2O3/c1-6-4-8(6)11(16)7-2-3-9-10(5-7)15-13(18)12(17)14-9/h2-3,5-6,8H,4H2,1H3,(H,14,17)(H,15,18)
InChIKeyOJUGMRCOPOSSTD-UHFFFAOYSA-N
XLogP1.06
TPSA82.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylcyclopropanecarbonyl)-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-(2-methylcyclopropanecarbonyl)-1,4-dihydroquinoxaline-2,3-dione (CID 43338748) is 6-(2-methylcyclopropanecarbonyl)-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-(2-methylcyclopropanecarbonyl)-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-(2-methylcyclopropanecarbonyl)-1,4-dihydroquinoxaline-2,3-dione is CC1CC1C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of 6-(2-methylcyclopropanecarbonyl)-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is OJUGMRCOPOSSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-6-4-8(6)11(16)7-2-3-9-10(5-7)15-13(18)12(17)14-9/h2-3,5-6,8H,4H2,1H3,(H,14,17)(H,15,18).
What are the key properties of 6-(2-methylcyclopropanecarbonyl)-1,4-dihydroquinoxaline-2,3-dione?
6-(2-methylcyclopropanecarbonyl)-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 244.25 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylcyclopropanecarbonyl)-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 43338748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).