6,6-dimethyl-5H-1,3-diazepine-2,7-dione

C7H10N2O2 — CID 123341520

IUPAC6,6-dimethyl-5H-1,3-diazepine-2,7-dione
SMILESCC1(C)CC=NC(=O)NC1=O
InChIInChI=1S/C7H10N2O2/c1-7(2)3-4-8-6(11)9-5(7)10/h4H,3H2,1-2H3,(H,9,10,11)
InChIKeyKSPSWHOZWNXNHL-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.72
Rot. Bonds

About 6,6-dimethyl-5H-1,3-diazepine-2,7-dione

6,6-dimethyl-5H-1,3-diazepine-2,7-dione (PubChem CID 123341520) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 6,6-dimethyl-5H-1,3-diazepine-2,7-dione.

Molecular Properties

Compound Name6,6-dimethyl-5H-1,3-diazepine-2,7-dione
PubChem CID123341520
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name6,6-dimethyl-5H-1,3-diazepine-2,7-dione
SMILESCC1(C)CC=NC(=O)NC1=O
InChIInChI=1S/C7H10N2O2/c1-7(2)3-4-8-6(11)9-5(7)10/h4H,3H2,1-2H3,(H,9,10,11)
InChIKeyKSPSWHOZWNXNHL-UHFFFAOYSA-N
XLogP0.72
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-5H-1,3-diazepine-2,7-dione?
The IUPAC name of 6,6-dimethyl-5H-1,3-diazepine-2,7-dione (CID 123341520) is 6,6-dimethyl-5H-1,3-diazepine-2,7-dione.
What is the SMILES notation for 6,6-dimethyl-5H-1,3-diazepine-2,7-dione?
The canonical SMILES for 6,6-dimethyl-5H-1,3-diazepine-2,7-dione is CC1(C)CC=NC(=O)NC1=O.
What is the InChIKey of 6,6-dimethyl-5H-1,3-diazepine-2,7-dione?
The InChIKey is KSPSWHOZWNXNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-7(2)3-4-8-6(11)9-5(7)10/h4H,3H2,1-2H3,(H,9,10,11).
What are the key properties of 6,6-dimethyl-5H-1,3-diazepine-2,7-dione?
6,6-dimethyl-5H-1,3-diazepine-2,7-dione has a molecular weight of 154.17 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-5H-1,3-diazepine-2,7-dione is sourced from PubChem (CID 123341520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).