[(Hexahydro-2,2,7,7-tetramethyl-5-oxo-1H-1,4-diazepine-1-yl)oxy]radical

C9H17N2O2 — CID 44827978

IUPAC—
SMILESCC1(C)CNC(=O)CC(C)(C)N1[O]
InChIInChI=1S/C9H17N2O2/c1-8(2)5-7(12)10-6-9(3,4)11(8)13/h5-6H2,1-4H3,(H,10,12)
InChIKeyFSPLIGGHUILVMZ-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.71
Rot. Bonds

About [(Hexahydro-2,2,7,7-tetramethyl-5-oxo-1H-1,4-diazepine-1-yl)oxy]radical

[(Hexahydro-2,2,7,7-tetramethyl-5-oxo-1H-1,4-diazepine-1-yl)oxy]radical (PubChem CID 44827978) has the molecular formula C9H17N2O2 and a molecular weight of 185.25 g/mol.

Molecular Properties

Compound Name[(Hexahydro-2,2,7,7-tetramethyl-5-oxo-1H-1,4-diazepine-1-yl)oxy]radical
PubChem CID44827978
Molecular FormulaC9H17N2O2
Molecular Weight185.25 g/mol
Exact Mass185.13
IUPAC Name—
SMILESCC1(C)CNC(=O)CC(C)(C)N1[O]
InChIInChI=1S/C9H17N2O2/c1-8(2)5-7(12)10-6-9(3,4)11(8)13/h5-6H2,1-4H3,(H,10,12)
InChIKeyFSPLIGGHUILVMZ-UHFFFAOYSA-N
XLogP0.71
TPSA52.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(Hexahydro-2,2,7,7-tetramethyl-5-oxo-1H-1,4-diazepine-1-yl)oxy]radical?
The IUPAC name of [(Hexahydro-2,2,7,7-tetramethyl-5-oxo-1H-1,4-diazepine-1-yl)oxy]radical (CID 44827978) is not available.
What is the SMILES notation for [(Hexahydro-2,2,7,7-tetramethyl-5-oxo-1H-1,4-diazepine-1-yl)oxy]radical?
The canonical SMILES for [(Hexahydro-2,2,7,7-tetramethyl-5-oxo-1H-1,4-diazepine-1-yl)oxy]radical is CC1(C)CNC(=O)CC(C)(C)N1[O].
What is the InChIKey of [(Hexahydro-2,2,7,7-tetramethyl-5-oxo-1H-1,4-diazepine-1-yl)oxy]radical?
The InChIKey is FSPLIGGHUILVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N2O2/c1-8(2)5-7(12)10-6-9(3,4)11(8)13/h5-6H2,1-4H3,(H,10,12).
What are the key properties of [(Hexahydro-2,2,7,7-tetramethyl-5-oxo-1H-1,4-diazepine-1-yl)oxy]radical?
[(Hexahydro-2,2,7,7-tetramethyl-5-oxo-1H-1,4-diazepine-1-yl)oxy]radical has a molecular weight of 185.25 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Hexahydro-2,2,7,7-tetramethyl-5-oxo-1H-1,4-diazepine-1-yl)oxy]radical is sourced from PubChem (CID 44827978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).