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

C7H14N2O — CID 84648780

IUPAC2,2-dimethyl-1,4-diazepan-5-one
SMILESCC1(C)CNC(=O)CCN1
InChIInChI=1S/C7H14N2O/c1-7(2)5-8-6(10)3-4-9-7/h9H,3-5H2,1-2H3,(H,8,10)
InChIKeyQLGYSCXSBLJZRA-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.13
Rot. Bonds

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

2,2-dimethyl-1,4-diazepan-5-one (PubChem CID 84648780) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 2,2-dimethyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name2,2-dimethyl-1,4-diazepan-5-one
PubChem CID84648780
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name2,2-dimethyl-1,4-diazepan-5-one
SMILESCC1(C)CNC(=O)CCN1
InChIInChI=1S/C7H14N2O/c1-7(2)5-8-6(10)3-4-9-7/h9H,3-5H2,1-2H3,(H,8,10)
InChIKeyQLGYSCXSBLJZRA-UHFFFAOYSA-N
XLogP-0.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,4-diazepan-5-one?
The IUPAC name of 2,2-dimethyl-1,4-diazepan-5-one (CID 84648780) is 2,2-dimethyl-1,4-diazepan-5-one.
What is the SMILES notation for 2,2-dimethyl-1,4-diazepan-5-one?
The canonical SMILES for 2,2-dimethyl-1,4-diazepan-5-one is CC1(C)CNC(=O)CCN1.
What is the InChIKey of 2,2-dimethyl-1,4-diazepan-5-one?
The InChIKey is QLGYSCXSBLJZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-7(2)5-8-6(10)3-4-9-7/h9H,3-5H2,1-2H3,(H,8,10).
What are the key properties of 2,2-dimethyl-1,4-diazepan-5-one?
2,2-dimethyl-1,4-diazepan-5-one has a molecular weight of 142.20 g/mol, XLogP of -0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,4-diazepan-5-one is sourced from PubChem (CID 84648780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).