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

C10H20N2O2 — CID 71106000

IUPAC1-hydroxy-2,2,4,7,7-pentamethyl-1,4-diazepan-5-one
SMILESCN1CC(C)(C)N(O)C(C)(C)CC1=O
InChIInChI=1S/C10H20N2O2/c1-9(2)6-8(13)11(5)7-10(3,4)12(9)14/h14H,6-7H2,1-5H3
InChIKeyGTICYIYYLQIGEM-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.10
Rot. Bonds

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

1-hydroxy-2,2,4,7,7-pentamethyl-1,4-diazepan-5-one (PubChem CID 71106000) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-hydroxy-2,2,4,7,7-pentamethyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-hydroxy-2,2,4,7,7-pentamethyl-1,4-diazepan-5-one
PubChem CID71106000
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-hydroxy-2,2,4,7,7-pentamethyl-1,4-diazepan-5-one
SMILESCN1CC(C)(C)N(O)C(C)(C)CC1=O
InChIInChI=1S/C10H20N2O2/c1-9(2)6-8(13)11(5)7-10(3,4)12(9)14/h14H,6-7H2,1-5H3
InChIKeyGTICYIYYLQIGEM-UHFFFAOYSA-N
XLogP1.10
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

Cambridge id 5510952
CID 870734
1-Butyl-3-ethyl-4-hydroxy-3,5,5,7-tetramethyl-1,4-diazepan-2-one
CID 18760550
2,7-Diethyl-1-hydroxy-2,3,4,7-tetramethyl-1,4-diazepan-5-one
CID 18760564
1-Butyl-4-hydroxy-3,3,5,5,7-pentamethyl-1,4-diazepan-2-one
CID 18760569
1,4-Dihydroxy-2,2,7,7-tetramethyl-1,4-diazepan-5-one
CID 20683173
[(Hexahydro-2,2,7,7-tetramethyl-5-oxo-1H-1,4-diazepine-1-yl)oxy]radical
CID 44827978
CID 59360345
CID 59360345
CID 59919907
CID 59919907
CID 59919920
CID 59919920
CID 59919926
CID 59919926
CID 59967311
CID 59967311
4,7,7-Trimethyl-1-propan-2-yl-1,4-diazepan-5-one
CID 134296447

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2,4,7,7-pentamethyl-1,4-diazepan-5-one?
The IUPAC name of 1-hydroxy-2,2,4,7,7-pentamethyl-1,4-diazepan-5-one (CID 71106000) is 1-hydroxy-2,2,4,7,7-pentamethyl-1,4-diazepan-5-one.
What is the SMILES notation for 1-hydroxy-2,2,4,7,7-pentamethyl-1,4-diazepan-5-one?
The canonical SMILES for 1-hydroxy-2,2,4,7,7-pentamethyl-1,4-diazepan-5-one is CN1CC(C)(C)N(O)C(C)(C)CC1=O.
What is the InChIKey of 1-hydroxy-2,2,4,7,7-pentamethyl-1,4-diazepan-5-one?
The InChIKey is GTICYIYYLQIGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-9(2)6-8(13)11(5)7-10(3,4)12(9)14/h14H,6-7H2,1-5H3.
What are the key properties of 1-hydroxy-2,2,4,7,7-pentamethyl-1,4-diazepan-5-one?
1-hydroxy-2,2,4,7,7-pentamethyl-1,4-diazepan-5-one has a molecular weight of 200.28 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2,4,7,7-pentamethyl-1,4-diazepan-5-one is sourced from PubChem (CID 71106000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).