(3E)-3-(phenylhydrazinylidene)piperidin-2-one

C11H13N3O — CID 5375679

IUPAC(3E)-3-(phenylhydrazinylidene)piperidin-2-one
SMILESO=C1NCCC/C1=N\Nc1ccccc1
InChIInChI=1S/C11H13N3O/c15-11-10(7-4-8-12-11)14-13-9-5-2-1-3-6-9/h1-3,5-6,13H,4,7-8H2,(H,12,15)/b14-10+
InChIKeyYQCAVNMBDOXHCX-GXDHUFHOSA-N
MW203.25 g/mol
LogP1.36
Rot. Bonds2

About (3E)-3-(phenylhydrazinylidene)piperidin-2-one

(3E)-3-(phenylhydrazinylidene)piperidin-2-one (PubChem CID 5375679) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is (3E)-3-(phenylhydrazinylidene)piperidin-2-one.

Molecular Properties

Compound Name(3E)-3-(phenylhydrazinylidene)piperidin-2-one
PubChem CID5375679
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name(3E)-3-(phenylhydrazinylidene)piperidin-2-one
SMILESO=C1NCCC/C1=N\Nc1ccccc1
InChIInChI=1S/C11H13N3O/c15-11-10(7-4-8-12-11)14-13-9-5-2-1-3-6-9/h1-3,5-6,13H,4,7-8H2,(H,12,15)/b14-10+
InChIKeyYQCAVNMBDOXHCX-GXDHUFHOSA-N
XLogP1.36
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(phenylhydrazinylidene)piperidin-2-one?
The IUPAC name of (3E)-3-(phenylhydrazinylidene)piperidin-2-one (CID 5375679) is (3E)-3-(phenylhydrazinylidene)piperidin-2-one.
What is the SMILES notation for (3E)-3-(phenylhydrazinylidene)piperidin-2-one?
The canonical SMILES for (3E)-3-(phenylhydrazinylidene)piperidin-2-one is O=C1NCCC/C1=N\Nc1ccccc1.
What is the InChIKey of (3E)-3-(phenylhydrazinylidene)piperidin-2-one?
The InChIKey is YQCAVNMBDOXHCX-GXDHUFHOSA-N. The full InChI is InChI=1S/C11H13N3O/c15-11-10(7-4-8-12-11)14-13-9-5-2-1-3-6-9/h1-3,5-6,13H,4,7-8H2,(H,12,15)/b14-10+.
What are the key properties of (3E)-3-(phenylhydrazinylidene)piperidin-2-one?
(3E)-3-(phenylhydrazinylidene)piperidin-2-one has a molecular weight of 203.25 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(phenylhydrazinylidene)piperidin-2-one is sourced from PubChem (CID 5375679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).