6-methyl-1,5-dihydro-1,3-diazepine-2,4-dione

C6H8N2O2 — CID 142113909

IUPAC6-methyl-1,5-dihydro-1,3-diazepine-2,4-dione
SMILESCC1=CNC(=O)NC(=O)C1
InChIInChI=1S/C6H8N2O2/c1-4-2-5(9)8-6(10)7-3-4/h3H,2H2,1H3,(H2,7,8,9,10)
InChIKeyUWNVVERQHABQTP-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.12
Rot. Bonds

About 6-methyl-1,5-dihydro-1,3-diazepine-2,4-dione

6-methyl-1,5-dihydro-1,3-diazepine-2,4-dione (PubChem CID 142113909) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 6-methyl-1,5-dihydro-1,3-diazepine-2,4-dione.

Molecular Properties

Compound Name6-methyl-1,5-dihydro-1,3-diazepine-2,4-dione
PubChem CID142113909
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name6-methyl-1,5-dihydro-1,3-diazepine-2,4-dione
SMILESCC1=CNC(=O)NC(=O)C1
InChIInChI=1S/C6H8N2O2/c1-4-2-5(9)8-6(10)7-3-4/h3H,2H2,1H3,(H2,7,8,9,10)
InChIKeyUWNVVERQHABQTP-UHFFFAOYSA-N
XLogP0.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,5-dihydro-1,3-diazepine-2,4-dione?
The IUPAC name of 6-methyl-1,5-dihydro-1,3-diazepine-2,4-dione (CID 142113909) is 6-methyl-1,5-dihydro-1,3-diazepine-2,4-dione.
What is the SMILES notation for 6-methyl-1,5-dihydro-1,3-diazepine-2,4-dione?
The canonical SMILES for 6-methyl-1,5-dihydro-1,3-diazepine-2,4-dione is CC1=CNC(=O)NC(=O)C1.
What is the InChIKey of 6-methyl-1,5-dihydro-1,3-diazepine-2,4-dione?
The InChIKey is UWNVVERQHABQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-4-2-5(9)8-6(10)7-3-4/h3H,2H2,1H3,(H2,7,8,9,10).
What are the key properties of 6-methyl-1,5-dihydro-1,3-diazepine-2,4-dione?
6-methyl-1,5-dihydro-1,3-diazepine-2,4-dione has a molecular weight of 140.14 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,5-dihydro-1,3-diazepine-2,4-dione is sourced from PubChem (CID 142113909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).