(3E)-3-hydrazinylidenepiperidin-2-one

C5H9N3O — CID 67903201

IUPAC(3E)-3-hydrazinylidenepiperidin-2-one
SMILESN/N=C1\CCCNC1=O
InChIInChI=1S/C5H9N3O/c6-8-4-2-1-3-7-5(4)9/h1-3,6H2,(H,7,9)/b8-4+
InChIKeyKUNQSWGHEHBDGW-XBXARRHUSA-N
MW127.15 g/mol
LogP-0.79
Rot. Bonds

About (3E)-3-hydrazinylidenepiperidin-2-one

(3E)-3-hydrazinylidenepiperidin-2-one (PubChem CID 67903201) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is (3E)-3-hydrazinylidenepiperidin-2-one.

Molecular Properties

Compound Name(3E)-3-hydrazinylidenepiperidin-2-one
PubChem CID67903201
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name(3E)-3-hydrazinylidenepiperidin-2-one
SMILESN/N=C1\CCCNC1=O
InChIInChI=1S/C5H9N3O/c6-8-4-2-1-3-7-5(4)9/h1-3,6H2,(H,7,9)/b8-4+
InChIKeyKUNQSWGHEHBDGW-XBXARRHUSA-N
XLogP-0.79
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-hydrazinylidenepiperidin-2-one?
The IUPAC name of (3E)-3-hydrazinylidenepiperidin-2-one (CID 67903201) is (3E)-3-hydrazinylidenepiperidin-2-one.
What is the SMILES notation for (3E)-3-hydrazinylidenepiperidin-2-one?
The canonical SMILES for (3E)-3-hydrazinylidenepiperidin-2-one is N/N=C1\CCCNC1=O.
What is the InChIKey of (3E)-3-hydrazinylidenepiperidin-2-one?
The InChIKey is KUNQSWGHEHBDGW-XBXARRHUSA-N. The full InChI is InChI=1S/C5H9N3O/c6-8-4-2-1-3-7-5(4)9/h1-3,6H2,(H,7,9)/b8-4+.
What are the key properties of (3E)-3-hydrazinylidenepiperidin-2-one?
(3E)-3-hydrazinylidenepiperidin-2-one has a molecular weight of 127.15 g/mol, XLogP of -0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-hydrazinylidenepiperidin-2-one is sourced from PubChem (CID 67903201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).