5,6-dimethyl-2H-1,2-benzodiazepine-3,4-dione

C11H10N2O2 — CID 90849659

IUPAC5,6-dimethyl-2H-1,2-benzodiazepine-3,4-dione
SMILESCc1cccc2n[nH]c(=O)c(=O)c(C)c12
InChIInChI=1S/C11H10N2O2/c1-6-4-3-5-8-9(6)7(2)10(14)11(15)13-12-8/h3-5H,1-2H3,(H,13,14,15)
InChIKeyUEVRKWYPXFYELO-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.90
Rot. Bonds

About 5,6-dimethyl-2H-1,2-benzodiazepine-3,4-dione

5,6-dimethyl-2H-1,2-benzodiazepine-3,4-dione (PubChem CID 90849659) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 5,6-dimethyl-2H-1,2-benzodiazepine-3,4-dione.

Molecular Properties

Compound Name5,6-dimethyl-2H-1,2-benzodiazepine-3,4-dione
PubChem CID90849659
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name5,6-dimethyl-2H-1,2-benzodiazepine-3,4-dione
SMILESCc1cccc2n[nH]c(=O)c(=O)c(C)c12
InChIInChI=1S/C11H10N2O2/c1-6-4-3-5-8-9(6)7(2)10(14)11(15)13-12-8/h3-5H,1-2H3,(H,13,14,15)
InChIKeyUEVRKWYPXFYELO-UHFFFAOYSA-N
XLogP0.90
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Benzodiazepine-dione
CID 54405697
5-amino-2H-1,2-benzodiazepine-3,4-dione
CID 54504639
5-ethyl-3-prop-2-enyl-1H-pyridazin-6-one
CID 90958239
5-ethyl-3-propyl-1H-pyridazin-6-one
CID 91443080
2,6-Dihydro-1,2-benzodiazepine-3,4,7-trione
CID 129697392
2,4-Dihydrocyclohepta[c]pyridazin-3-one
CID 140248005
4-[(Z)-but-1-enyl]-3-methyl-5-[(Z)-prop-1-enyl]-1H-pyridazin-6-one;ethane
CID 143162575
4-[(Z)-but-1-enyl]-5-ethenyl-3-methyl-1H-pyridazin-6-one;ethane
CID 143162677
1,7-Dimethyl-3,7-dihydrocyclohepta[d]pyridazin-4-one;ethane
CID 143162689
(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-1H-pyridazin-6-one;ethane
CID 143672104
3-ethyl-5-prop-1-en-2-yl-1H-pyridazin-6-one
CID 155276783
(5E)-3-methyl-5-[(Z)-pent-2-enylidene]-1,4-dihydropyridazin-6-one
CID 142215025

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2H-1,2-benzodiazepine-3,4-dione?
The IUPAC name of 5,6-dimethyl-2H-1,2-benzodiazepine-3,4-dione (CID 90849659) is 5,6-dimethyl-2H-1,2-benzodiazepine-3,4-dione.
What is the SMILES notation for 5,6-dimethyl-2H-1,2-benzodiazepine-3,4-dione?
The canonical SMILES for 5,6-dimethyl-2H-1,2-benzodiazepine-3,4-dione is Cc1cccc2n[nH]c(=O)c(=O)c(C)c12.
What is the InChIKey of 5,6-dimethyl-2H-1,2-benzodiazepine-3,4-dione?
The InChIKey is UEVRKWYPXFYELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-6-4-3-5-8-9(6)7(2)10(14)11(15)13-12-8/h3-5H,1-2H3,(H,13,14,15).
What are the key properties of 5,6-dimethyl-2H-1,2-benzodiazepine-3,4-dione?
5,6-dimethyl-2H-1,2-benzodiazepine-3,4-dione has a molecular weight of 202.21 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2H-1,2-benzodiazepine-3,4-dione is sourced from PubChem (CID 90849659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).