5-amino-1-oxidopiperidin-2-one

C5H9N2O2- — CID 87348703

IUPAC5-amino-1-oxidopiperidin-2-one
SMILESNC1CCC(=O)N([O-])C1
InChIInChI=1S/C5H9N2O2/c6-4-1-2-5(8)7(9)3-4/h4H,1-3,6H2/q-1
InChIKeyHGLGHVRLTLAZMC-UHFFFAOYSA-N
MW129.14 g/mol
LogP-0.57
Rot. Bonds

About 5-amino-1-oxidopiperidin-2-one

5-amino-1-oxidopiperidin-2-one (PubChem CID 87348703) has the molecular formula C5H9N2O2- and a molecular weight of 129.14 g/mol. Its IUPAC name is 5-amino-1-oxidopiperidin-2-one.

Molecular Properties

Compound Name5-amino-1-oxidopiperidin-2-one
PubChem CID87348703
Molecular FormulaC5H9N2O2-
Molecular Weight129.14 g/mol
Exact Mass129.07
IUPAC Name5-amino-1-oxidopiperidin-2-one
SMILESNC1CCC(=O)N([O-])C1
InChIInChI=1S/C5H9N2O2/c6-4-1-2-5(8)7(9)3-4/h4H,1-3,6H2/q-1
InChIKeyHGLGHVRLTLAZMC-UHFFFAOYSA-N
XLogP-0.57
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.14
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-oxidopiperidin-2-one?
The IUPAC name of 5-amino-1-oxidopiperidin-2-one (CID 87348703) is 5-amino-1-oxidopiperidin-2-one.
What is the SMILES notation for 5-amino-1-oxidopiperidin-2-one?
The canonical SMILES for 5-amino-1-oxidopiperidin-2-one is NC1CCC(=O)N([O-])C1.
What is the InChIKey of 5-amino-1-oxidopiperidin-2-one?
The InChIKey is HGLGHVRLTLAZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N2O2/c6-4-1-2-5(8)7(9)3-4/h4H,1-3,6H2/q-1.
What are the key properties of 5-amino-1-oxidopiperidin-2-one?
5-amino-1-oxidopiperidin-2-one has a molecular weight of 129.14 g/mol, XLogP of -0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-oxidopiperidin-2-one is sourced from PubChem (CID 87348703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).