3-methyl-1,7-dihydro-1,3-diazepine-2,4-dione

C6H8N2O2 — CID 166651961

IUPAC3-methyl-1,7-dihydro-1,3-diazepine-2,4-dione
SMILESCN1C(=O)C=CCNC1=O
InChIInChI=1S/C6H8N2O2/c1-8-5(9)3-2-4-7-6(8)10/h2-3H,4H2,1H3,(H,7,10)
InChIKeyHFQZRBUFEDPDHH-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.28
Rot. Bonds

About 3-methyl-1,7-dihydro-1,3-diazepine-2,4-dione

3-methyl-1,7-dihydro-1,3-diazepine-2,4-dione (PubChem CID 166651961) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 3-methyl-1,7-dihydro-1,3-diazepine-2,4-dione.

Molecular Properties

Compound Name3-methyl-1,7-dihydro-1,3-diazepine-2,4-dione
PubChem CID166651961
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name3-methyl-1,7-dihydro-1,3-diazepine-2,4-dione
SMILESCN1C(=O)C=CCNC1=O
InChIInChI=1S/C6H8N2O2/c1-8-5(9)3-2-4-7-6(8)10/h2-3H,4H2,1H3,(H,7,10)
InChIKeyHFQZRBUFEDPDHH-UHFFFAOYSA-N
XLogP-0.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,7-dihydro-1,3-diazepine-2,4-dione?
The IUPAC name of 3-methyl-1,7-dihydro-1,3-diazepine-2,4-dione (CID 166651961) is 3-methyl-1,7-dihydro-1,3-diazepine-2,4-dione.
What is the SMILES notation for 3-methyl-1,7-dihydro-1,3-diazepine-2,4-dione?
The canonical SMILES for 3-methyl-1,7-dihydro-1,3-diazepine-2,4-dione is CN1C(=O)C=CCNC1=O.
What is the InChIKey of 3-methyl-1,7-dihydro-1,3-diazepine-2,4-dione?
The InChIKey is HFQZRBUFEDPDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-8-5(9)3-2-4-7-6(8)10/h2-3H,4H2,1H3,(H,7,10).
What are the key properties of 3-methyl-1,7-dihydro-1,3-diazepine-2,4-dione?
3-methyl-1,7-dihydro-1,3-diazepine-2,4-dione has a molecular weight of 140.14 g/mol, XLogP of -0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,7-dihydro-1,3-diazepine-2,4-dione is sourced from PubChem (CID 166651961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).