6-methyl-1,4-dihydroquinoxaline-2,3-dione;molecular hydrogen

C9H12N2O2 — CID 145445057

IUPAC6-methyl-1,4-dihydroquinoxaline-2,3-dione;molecular hydrogen
SMILESCc1ccc2[nH]c(=O)c(=O)[nH]c2c1.[H][H].[H][H]
InChIInChI=1S/C9H8N2O2.2H2/c1-5-2-3-6-7(4-5)11-9(13)8(12)10-6;;/h2-4H,1H3,(H,10,12)(H,11,13);2*1H
InChIKeyBEHPTTBLZNVLSO-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.02
Rot. Bonds

About 6-methyl-1,4-dihydroquinoxaline-2,3-dione;molecular hydrogen

6-methyl-1,4-dihydroquinoxaline-2,3-dione;molecular hydrogen (PubChem CID 145445057) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 6-methyl-1,4-dihydroquinoxaline-2,3-dione;molecular hydrogen.

Molecular Properties

Compound Name6-methyl-1,4-dihydroquinoxaline-2,3-dione;molecular hydrogen
PubChem CID145445057
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name6-methyl-1,4-dihydroquinoxaline-2,3-dione;molecular hydrogen
SMILESCc1ccc2[nH]c(=O)c(=O)[nH]c2c1.[H][H].[H][H]
InChIInChI=1S/C9H8N2O2.2H2/c1-5-2-3-6-7(4-5)11-9(13)8(12)10-6;;/h2-4H,1H3,(H,10,12)(H,11,13);2*1H
InChIKeyBEHPTTBLZNVLSO-UHFFFAOYSA-N
XLogP1.02
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;5-methyl-1,3-dihydrobenzimidazol-2-one
CID 90978639
3,7-dimethyl-1H-quinolin-2-one
CID 12693830
5-(2-chloro-5-methylphenyl)-1,3-dihydrobenzimidazol-2-one
CID 122656499
N-(2,5-dimethylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 8712515
6-bromo-1,4-dihydroquinoxaline-2,3-dione
CID 5062264
3-methyl-5H-phenanthridin-6-one
CID 59877971
4,7-dimethyl-1H-quinoxaline-2,3-dione
CID 18788081
3,5-dimethyl-1H-benzimidazol-2-one;molecular hydrogen
CID 144928810
3,6-dimethyl-1H-benzimidazol-2-one;molecular hydrogen
CID 144928816
2,7-dimethyl-10H-acridin-9-one
CID 13293445
1-ethoxy-4-methylbenzene;5-methyl-1,3-dihydrobenzimidazol-2-one
CID 157345217
3-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
CID 143364643

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,4-dihydroquinoxaline-2,3-dione;molecular hydrogen?
The IUPAC name of 6-methyl-1,4-dihydroquinoxaline-2,3-dione;molecular hydrogen (CID 145445057) is 6-methyl-1,4-dihydroquinoxaline-2,3-dione;molecular hydrogen.
What is the SMILES notation for 6-methyl-1,4-dihydroquinoxaline-2,3-dione;molecular hydrogen?
The canonical SMILES for 6-methyl-1,4-dihydroquinoxaline-2,3-dione;molecular hydrogen is Cc1ccc2[nH]c(=O)c(=O)[nH]c2c1.[H][H].[H][H].
What is the InChIKey of 6-methyl-1,4-dihydroquinoxaline-2,3-dione;molecular hydrogen?
The InChIKey is BEHPTTBLZNVLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2.2H2/c1-5-2-3-6-7(4-5)11-9(13)8(12)10-6;;/h2-4H,1H3,(H,10,12)(H,11,13);2*1H.
What are the key properties of 6-methyl-1,4-dihydroquinoxaline-2,3-dione;molecular hydrogen?
6-methyl-1,4-dihydroquinoxaline-2,3-dione;molecular hydrogen has a molecular weight of 180.21 g/mol, XLogP of 1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,4-dihydroquinoxaline-2,3-dione;molecular hydrogen is sourced from PubChem (CID 145445057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).