1,4,6-trimethyl-1,4-diazepan-5-one

C8H16N2O — CID 18346774

IUPAC1,4,6-trimethyl-1,4-diazepan-5-one
SMILESCC1CN(C)CCN(C)C1=O
InChIInChI=1S/C8H16N2O/c1-7-6-9(2)4-5-10(3)8(7)11/h7H,4-6H2,1-3H3
InChIKeyVQRHFTFZCVBQRF-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.03
Rot. Bonds

About 1,4,6-trimethyl-1,4-diazepan-5-one

1,4,6-trimethyl-1,4-diazepan-5-one (PubChem CID 18346774) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1,4,6-trimethyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name1,4,6-trimethyl-1,4-diazepan-5-one
PubChem CID18346774
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1,4,6-trimethyl-1,4-diazepan-5-one
SMILESCC1CN(C)CCN(C)C1=O
InChIInChI=1S/C8H16N2O/c1-7-6-9(2)4-5-10(3)8(7)11/h7H,4-6H2,1-3H3
InChIKeyVQRHFTFZCVBQRF-UHFFFAOYSA-N
XLogP0.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4,6-trimethyl-1,4-diazepan-5-one?
The IUPAC name of 1,4,6-trimethyl-1,4-diazepan-5-one (CID 18346774) is 1,4,6-trimethyl-1,4-diazepan-5-one.
What is the SMILES notation for 1,4,6-trimethyl-1,4-diazepan-5-one?
The canonical SMILES for 1,4,6-trimethyl-1,4-diazepan-5-one is CC1CN(C)CCN(C)C1=O.
What is the InChIKey of 1,4,6-trimethyl-1,4-diazepan-5-one?
The InChIKey is VQRHFTFZCVBQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-7-6-9(2)4-5-10(3)8(7)11/h7H,4-6H2,1-3H3.
What are the key properties of 1,4,6-trimethyl-1,4-diazepan-5-one?
1,4,6-trimethyl-1,4-diazepan-5-one has a molecular weight of 156.23 g/mol, XLogP of 0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trimethyl-1,4-diazepan-5-one is sourced from PubChem (CID 18346774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).