5-hydroxy-1,3-diazepan-2-one

C5H10N2O2 — CID 12580171

IUPAC5-hydroxy-1,3-diazepan-2-one
SMILESO=C1NCCC(O)CN1
InChIInChI=1S/C5H10N2O2/c8-4-1-2-6-5(9)7-3-4/h4,8H,1-3H2,(H2,6,7,9)
InChIKeyKENDVWBAWVMLCI-UHFFFAOYSA-N
MW130.15 g/mol
LogP-0.95
Rot. Bonds

About 5-hydroxy-1,3-diazepan-2-one

5-hydroxy-1,3-diazepan-2-one (PubChem CID 12580171) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 5-hydroxy-1,3-diazepan-2-one.

Molecular Properties

Compound Name5-hydroxy-1,3-diazepan-2-one
PubChem CID12580171
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name5-hydroxy-1,3-diazepan-2-one
SMILESO=C1NCCC(O)CN1
InChIInChI=1S/C5H10N2O2/c8-4-1-2-6-5(9)7-3-4/h4,8H,1-3H2,(H2,6,7,9)
InChIKeyKENDVWBAWVMLCI-UHFFFAOYSA-N
XLogP-0.95
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1,3-diazepan-2-one?
The IUPAC name of 5-hydroxy-1,3-diazepan-2-one (CID 12580171) is 5-hydroxy-1,3-diazepan-2-one.
What is the SMILES notation for 5-hydroxy-1,3-diazepan-2-one?
The canonical SMILES for 5-hydroxy-1,3-diazepan-2-one is O=C1NCCC(O)CN1.
What is the InChIKey of 5-hydroxy-1,3-diazepan-2-one?
The InChIKey is KENDVWBAWVMLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c8-4-1-2-6-5(9)7-3-4/h4,8H,1-3H2,(H2,6,7,9).
What are the key properties of 5-hydroxy-1,3-diazepan-2-one?
5-hydroxy-1,3-diazepan-2-one has a molecular weight of 130.15 g/mol, XLogP of -0.95, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1,3-diazepan-2-one is sourced from PubChem (CID 12580171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).