2,2,4-trimethyl-1,4-diazepan-5-one

C8H16N2O — CID 117023636

IUPAC2,2,4-trimethyl-1,4-diazepan-5-one
SMILESCN1CC(C)(C)NCCC1=O
InChIInChI=1S/C8H16N2O/c1-8(2)6-10(3)7(11)4-5-9-8/h9H,4-6H2,1-3H3
InChIKeyUQHCFVBFIIPBBV-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.22
Rot. Bonds

About 2,2,4-trimethyl-1,4-diazepan-5-one

2,2,4-trimethyl-1,4-diazepan-5-one (PubChem CID 117023636) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2,2,4-trimethyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name2,2,4-trimethyl-1,4-diazepan-5-one
PubChem CID117023636
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2,2,4-trimethyl-1,4-diazepan-5-one
SMILESCN1CC(C)(C)NCCC1=O
InChIInChI=1S/C8H16N2O/c1-8(2)6-10(3)7(11)4-5-9-8/h9H,4-6H2,1-3H3
InChIKeyUQHCFVBFIIPBBV-UHFFFAOYSA-N
XLogP0.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-1,4-diazepan-5-one?
The IUPAC name of 2,2,4-trimethyl-1,4-diazepan-5-one (CID 117023636) is 2,2,4-trimethyl-1,4-diazepan-5-one.
What is the SMILES notation for 2,2,4-trimethyl-1,4-diazepan-5-one?
The canonical SMILES for 2,2,4-trimethyl-1,4-diazepan-5-one is CN1CC(C)(C)NCCC1=O.
What is the InChIKey of 2,2,4-trimethyl-1,4-diazepan-5-one?
The InChIKey is UQHCFVBFIIPBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(2)6-10(3)7(11)4-5-9-8/h9H,4-6H2,1-3H3.
What are the key properties of 2,2,4-trimethyl-1,4-diazepan-5-one?
2,2,4-trimethyl-1,4-diazepan-5-one has a molecular weight of 156.23 g/mol, XLogP of 0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-1,4-diazepan-5-one is sourced from PubChem (CID 117023636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).