1-hydroxy-2,2,7,7-tetramethyl-1,4-diazepan-5-one

C9H18N2O2 — CID 870734

IUPAC1-hydroxy-2,2,7,7-tetramethyl-1,4-diazepan-5-one
SMILESCC1(C)CNC(=O)CC(C)(C)N1O
InChIInChI=1S/C9H18N2O2/c1-8(2)5-7(12)10-6-9(3,4)11(8)13/h13H,5-6H2,1-4H3,(H,10,12)
InChIKeyJKUHZEQDSDGIBW-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.75
Rot. Bonds

About 1-hydroxy-2,2,7,7-tetramethyl-1,4-diazepan-5-one

1-hydroxy-2,2,7,7-tetramethyl-1,4-diazepan-5-one (PubChem CID 870734) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-hydroxy-2,2,7,7-tetramethyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-hydroxy-2,2,7,7-tetramethyl-1,4-diazepan-5-one
PubChem CID870734
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-hydroxy-2,2,7,7-tetramethyl-1,4-diazepan-5-one
SMILESCC1(C)CNC(=O)CC(C)(C)N1O
InChIInChI=1S/C9H18N2O2/c1-8(2)5-7(12)10-6-9(3,4)11(8)13/h13H,5-6H2,1-4H3,(H,10,12)
InChIKeyJKUHZEQDSDGIBW-UHFFFAOYSA-N
XLogP0.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,7,7-Tetramethyl-1,4-diazepan-5-one
CID 546910
7,7-Dimethyl-1,4-diazepan-5-one
CID 122573960
1-Acetyl-7,7-dimethyl-1,4-diazepan-5-one
CID 165935249
2,7-Diethyl-1-hydroxy-2,3,7-trimethyl-1,4-diazepan-5-one
CID 18760513
2-Methyl-2-[(2,2,7,7-tetramethyl-5-oxo-1,4-diazepan-1-yl)oxy]propanenitrile
CID 18760563
1,4-Dihydroxy-2,2,7,7-tetramethyl-1,4-diazepan-5-one
CID 20683173
4-Hydroxy-3,3,5,5-tetramethyl-1,4-diazepane-2,7-dione
CID 20771167
[(Hexahydro-2,2,7,7-tetramethyl-5-oxo-1H-1,4-diazepine-1-yl)oxy]radical
CID 44827978
1,2,2,7,7-Pentamethyl-1,4-diazacycloheptan-5-one
CID 53759496
7,7-Dimethyl-1-propan-2-yl-1,4-diazepan-5-one
CID 57934810
N-[2-(hydroxyamino)-2-methylpropyl]butanamide
CID 58654641
CID 59360345
CID 59360345

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2,7,7-tetramethyl-1,4-diazepan-5-one?
The IUPAC name of 1-hydroxy-2,2,7,7-tetramethyl-1,4-diazepan-5-one (CID 870734) is 1-hydroxy-2,2,7,7-tetramethyl-1,4-diazepan-5-one.
What is the SMILES notation for 1-hydroxy-2,2,7,7-tetramethyl-1,4-diazepan-5-one?
The canonical SMILES for 1-hydroxy-2,2,7,7-tetramethyl-1,4-diazepan-5-one is CC1(C)CNC(=O)CC(C)(C)N1O.
What is the InChIKey of 1-hydroxy-2,2,7,7-tetramethyl-1,4-diazepan-5-one?
The InChIKey is JKUHZEQDSDGIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-8(2)5-7(12)10-6-9(3,4)11(8)13/h13H,5-6H2,1-4H3,(H,10,12).
What are the key properties of 1-hydroxy-2,2,7,7-tetramethyl-1,4-diazepan-5-one?
1-hydroxy-2,2,7,7-tetramethyl-1,4-diazepan-5-one has a molecular weight of 186.25 g/mol, XLogP of 0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2,7,7-tetramethyl-1,4-diazepan-5-one is sourced from PubChem (CID 870734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).