5,6-dihydroxy-1,3-diazepan-2-one

C5H10N2O3 — CID 71482479

IUPAC5,6-dihydroxy-1,3-diazepan-2-one
SMILESO=C1NCC(O)C(O)CN1
InChIInChI=1S/C5H10N2O3/c8-3-1-6-5(10)7-2-4(3)9/h3-4,8-9H,1-2H2,(H2,6,7,10)
InChIKeyZMGMDXCADSRNCX-UHFFFAOYSA-N
MW146.15 g/mol
LogP-1.98
Rot. Bonds

About 5,6-dihydroxy-1,3-diazepan-2-one

5,6-dihydroxy-1,3-diazepan-2-one (PubChem CID 71482479) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is 5,6-dihydroxy-1,3-diazepan-2-one.

Molecular Properties

Compound Name5,6-dihydroxy-1,3-diazepan-2-one
PubChem CID71482479
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name5,6-dihydroxy-1,3-diazepan-2-one
SMILESO=C1NCC(O)C(O)CN1
InChIInChI=1S/C5H10N2O3/c8-3-1-6-5(10)7-2-4(3)9/h3-4,8-9H,1-2H2,(H2,6,7,10)
InChIKeyZMGMDXCADSRNCX-UHFFFAOYSA-N
XLogP-1.98
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-1.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 5,6-dihydroxy-1,3-diazepan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydroxy-1,3-diazepan-2-one?
The IUPAC name of 5,6-dihydroxy-1,3-diazepan-2-one (CID 71482479) is 5,6-dihydroxy-1,3-diazepan-2-one.
What is the SMILES notation for 5,6-dihydroxy-1,3-diazepan-2-one?
The canonical SMILES for 5,6-dihydroxy-1,3-diazepan-2-one is O=C1NCC(O)C(O)CN1.
What is the InChIKey of 5,6-dihydroxy-1,3-diazepan-2-one?
The InChIKey is ZMGMDXCADSRNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3/c8-3-1-6-5(10)7-2-4(3)9/h3-4,8-9H,1-2H2,(H2,6,7,10).
What are the key properties of 5,6-dihydroxy-1,3-diazepan-2-one?
5,6-dihydroxy-1,3-diazepan-2-one has a molecular weight of 146.15 g/mol, XLogP of -1.98, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydroxy-1,3-diazepan-2-one is sourced from PubChem (CID 71482479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).