6-ethyl-1-methyl-1,4-diazepan-2-one

C8H16N2O — CID 135123090

IUPAC6-ethyl-1-methyl-1,4-diazepan-2-one
SMILESCCC1CNCC(=O)N(C)C1
InChIInChI=1S/C8H16N2O/c1-3-7-4-9-5-8(11)10(2)6-7/h7,9H,3-6H2,1-2H3
InChIKeyIOQROEPUUYHXFD-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.07
Rot. Bonds1

About 6-ethyl-1-methyl-1,4-diazepan-2-one

6-ethyl-1-methyl-1,4-diazepan-2-one (PubChem CID 135123090) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 6-ethyl-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name6-ethyl-1-methyl-1,4-diazepan-2-one
PubChem CID135123090
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name6-ethyl-1-methyl-1,4-diazepan-2-one
SMILESCCC1CNCC(=O)N(C)C1
InChIInChI=1S/C8H16N2O/c1-3-7-4-9-5-8(11)10(2)6-7/h7,9H,3-6H2,1-2H3
InChIKeyIOQROEPUUYHXFD-UHFFFAOYSA-N
XLogP0.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 6-ethyl-1-methyl-1,4-diazepan-2-one (CID 135123090) is 6-ethyl-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 6-ethyl-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 6-ethyl-1-methyl-1,4-diazepan-2-one is CCC1CNCC(=O)N(C)C1.
What is the InChIKey of 6-ethyl-1-methyl-1,4-diazepan-2-one?
The InChIKey is IOQROEPUUYHXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-7-4-9-5-8(11)10(2)6-7/h7,9H,3-6H2,1-2H3.
What are the key properties of 6-ethyl-1-methyl-1,4-diazepan-2-one?
6-ethyl-1-methyl-1,4-diazepan-2-one has a molecular weight of 156.23 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 135123090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).