7,7-dimethyl-1,4-diazepan-5-one

C7H14N2O — CID 122573960

IUPAC7,7-dimethyl-1,4-diazepan-5-one
SMILESCC1(C)CC(=O)NCCN1
InChIInChI=1S/C7H14N2O/c1-7(2)5-6(10)8-3-4-9-7/h9H,3-5H2,1-2H3,(H,8,10)
InChIKeyIFZVHAUMJFLUPY-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.13
Rot. Bonds

About 7,7-dimethyl-1,4-diazepan-5-one

7,7-dimethyl-1,4-diazepan-5-one (PubChem CID 122573960) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 7,7-dimethyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name7,7-dimethyl-1,4-diazepan-5-one
PubChem CID122573960
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name7,7-dimethyl-1,4-diazepan-5-one
SMILESCC1(C)CC(=O)NCCN1
InChIInChI=1S/C7H14N2O/c1-7(2)5-6(10)8-3-4-9-7/h9H,3-5H2,1-2H3,(H,8,10)
InChIKeyIFZVHAUMJFLUPY-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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Related Compounds

2,2,7,7-Tetramethyl-1,4-diazepan-5-one
CID 546910
1,4-Diazepan-5-one
CID 2737264
Cambridge id 5510952
CID 870734
Hexahydro-7-methyl-5H-1,4-diazepin-5-one
CID 45117250
2,2-Dimethyl-1,4-diazepan-5-one
CID 84648780
(3R)-3-Ethyl-1,4-diazepan-2-one
CID 55298879
3,3-Dimethyl-1,4-diazepan-2-one
CID 84107033
4-Methyl-4,8-diazaspiro(2.6)nonan-5-one
CID 84649985
(3S)-3-ethyl-1,4-diazepan-2-one
CID 92784972
2,2,4-Trimethyl-1,4-diazepan-5-one
CID 117023636
(2S)-2,4-dimethyl-1,4-diazepan-5-one
CID 129371681
1-Acetyl-7,7-dimethyl-1,4-diazepan-5-one
CID 165935249

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1,4-diazepan-5-one?
The IUPAC name of 7,7-dimethyl-1,4-diazepan-5-one (CID 122573960) is 7,7-dimethyl-1,4-diazepan-5-one.
What is the SMILES notation for 7,7-dimethyl-1,4-diazepan-5-one?
The canonical SMILES for 7,7-dimethyl-1,4-diazepan-5-one is CC1(C)CC(=O)NCCN1.
What is the InChIKey of 7,7-dimethyl-1,4-diazepan-5-one?
The InChIKey is IFZVHAUMJFLUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-7(2)5-6(10)8-3-4-9-7/h9H,3-5H2,1-2H3,(H,8,10).
What are the key properties of 7,7-dimethyl-1,4-diazepan-5-one?
7,7-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 7,7-dimethyl-1,4-diazepan-5-one is sourced from PubChem (CID 122573960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).