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

C9H18N2O3 — CID 20683173

IUPAC1,4-dihydroxy-2,2,7,7-tetramethyl-1,4-diazepan-5-one
SMILESCC1(C)CC(=O)N(O)CC(C)(C)N1O
InChIInChI=1S/C9H18N2O3/c1-8(2)5-7(12)10(13)6-9(3,4)11(8)14/h13-14H,5-6H2,1-4H3
InChIKeyBBOYLADXGBXBPJ-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.86
Rot. Bonds

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

1,4-dihydroxy-2,2,7,7-tetramethyl-1,4-diazepan-5-one (PubChem CID 20683173) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1,4-dihydroxy-2,2,7,7-tetramethyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name1,4-dihydroxy-2,2,7,7-tetramethyl-1,4-diazepan-5-one
PubChem CID20683173
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name1,4-dihydroxy-2,2,7,7-tetramethyl-1,4-diazepan-5-one
SMILESCC1(C)CC(=O)N(O)CC(C)(C)N1O
InChIInChI=1S/C9H18N2O3/c1-8(2)5-7(12)10(13)6-9(3,4)11(8)14/h13-14H,5-6H2,1-4H3
InChIKeyBBOYLADXGBXBPJ-UHFFFAOYSA-N
XLogP0.86
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroxy-2,2,7,7-tetramethyl-1,4-diazepan-5-one?
The IUPAC name of 1,4-dihydroxy-2,2,7,7-tetramethyl-1,4-diazepan-5-one (CID 20683173) is 1,4-dihydroxy-2,2,7,7-tetramethyl-1,4-diazepan-5-one.
What is the SMILES notation for 1,4-dihydroxy-2,2,7,7-tetramethyl-1,4-diazepan-5-one?
The canonical SMILES for 1,4-dihydroxy-2,2,7,7-tetramethyl-1,4-diazepan-5-one is CC1(C)CC(=O)N(O)CC(C)(C)N1O.
What is the InChIKey of 1,4-dihydroxy-2,2,7,7-tetramethyl-1,4-diazepan-5-one?
The InChIKey is BBOYLADXGBXBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-8(2)5-7(12)10(13)6-9(3,4)11(8)14/h13-14H,5-6H2,1-4H3.
What are the key properties of 1,4-dihydroxy-2,2,7,7-tetramethyl-1,4-diazepan-5-one?
1,4-dihydroxy-2,2,7,7-tetramethyl-1,4-diazepan-5-one has a molecular weight of 202.25 g/mol, XLogP of 0.86, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroxy-2,2,7,7-tetramethyl-1,4-diazepan-5-one is sourced from PubChem (CID 20683173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).