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

C9H18N2O — CID 90770632

IUPAC1,2,2,4-tetramethyl-1,4-diazepan-5-one
SMILESCN1CC(C)(C)N(C)CCC1=O
InChIInChI=1S/C9H18N2O/c1-9(2)7-10(3)8(12)5-6-11(9)4/h5-7H2,1-4H3
InChIKeyHPLXUMNEBPOWGW-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.56
Rot. Bonds

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

1,2,2,4-tetramethyl-1,4-diazepan-5-one (PubChem CID 90770632) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1,2,2,4-tetramethyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name1,2,2,4-tetramethyl-1,4-diazepan-5-one
PubChem CID90770632
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1,2,2,4-tetramethyl-1,4-diazepan-5-one
SMILESCN1CC(C)(C)N(C)CCC1=O
InChIInChI=1S/C9H18N2O/c1-9(2)7-10(3)8(12)5-6-11(9)4/h5-7H2,1-4H3
InChIKeyHPLXUMNEBPOWGW-UHFFFAOYSA-N
XLogP0.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,4-tetramethyl-1,4-diazepan-5-one?
The IUPAC name of 1,2,2,4-tetramethyl-1,4-diazepan-5-one (CID 90770632) is 1,2,2,4-tetramethyl-1,4-diazepan-5-one.
What is the SMILES notation for 1,2,2,4-tetramethyl-1,4-diazepan-5-one?
The canonical SMILES for 1,2,2,4-tetramethyl-1,4-diazepan-5-one is CN1CC(C)(C)N(C)CCC1=O.
What is the InChIKey of 1,2,2,4-tetramethyl-1,4-diazepan-5-one?
The InChIKey is HPLXUMNEBPOWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(2)7-10(3)8(12)5-6-11(9)4/h5-7H2,1-4H3.
What are the key properties of 1,2,2,4-tetramethyl-1,4-diazepan-5-one?
1,2,2,4-tetramethyl-1,4-diazepan-5-one has a molecular weight of 170.26 g/mol, XLogP of 0.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,4-tetramethyl-1,4-diazepan-5-one is sourced from PubChem (CID 90770632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).