3-[(2,5-difluorophenyl)hydrazinylidene]piperidin-2-one

C11H11F2N3O — CID 2740090

IUPAC3-[(2,5-difluorophenyl)hydrazinylidene]piperidin-2-one
SMILESO=C1NCCCC1=NNc1cc(F)ccc1F
InChIInChI=1S/C11H11F2N3O/c12-7-3-4-8(13)10(6-7)16-15-9-2-1-5-14-11(9)17/h3-4,6,16H,1-2,5H2,(H,14,17)
InChIKeyDBVISXPHDJBDID-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.64
Rot. Bonds2

About 3-[(2,5-difluorophenyl)hydrazinylidene]piperidin-2-one

3-[(2,5-difluorophenyl)hydrazinylidene]piperidin-2-one (PubChem CID 2740090) has the molecular formula C11H11F2N3O and a molecular weight of 239.22 g/mol. Its IUPAC name is 3-[(2,5-difluorophenyl)hydrazinylidene]piperidin-2-one.

Molecular Properties

Compound Name3-[(2,5-difluorophenyl)hydrazinylidene]piperidin-2-one
PubChem CID2740090
Molecular FormulaC11H11F2N3O
Molecular Weight239.22 g/mol
Exact Mass239.09
IUPAC Name3-[(2,5-difluorophenyl)hydrazinylidene]piperidin-2-one
SMILESO=C1NCCCC1=NNc1cc(F)ccc1F
InChIInChI=1S/C11H11F2N3O/c12-7-3-4-8(13)10(6-7)16-15-9-2-1-5-14-11(9)17/h3-4,6,16H,1-2,5H2,(H,14,17)
InChIKeyDBVISXPHDJBDID-UHFFFAOYSA-N
XLogP1.64
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.64
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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Related Compounds

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CID 5457278
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CID 6510230
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CID 2815286
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CID 5524391
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CID 24817154
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CID 2740080
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CID 5703276
CID 5703276

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-difluorophenyl)hydrazinylidene]piperidin-2-one?
The IUPAC name of 3-[(2,5-difluorophenyl)hydrazinylidene]piperidin-2-one (CID 2740090) is 3-[(2,5-difluorophenyl)hydrazinylidene]piperidin-2-one.
What is the SMILES notation for 3-[(2,5-difluorophenyl)hydrazinylidene]piperidin-2-one?
The canonical SMILES for 3-[(2,5-difluorophenyl)hydrazinylidene]piperidin-2-one is O=C1NCCCC1=NNc1cc(F)ccc1F.
What is the InChIKey of 3-[(2,5-difluorophenyl)hydrazinylidene]piperidin-2-one?
The InChIKey is DBVISXPHDJBDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c12-7-3-4-8(13)10(6-7)16-15-9-2-1-5-14-11(9)17/h3-4,6,16H,1-2,5H2,(H,14,17).
What are the key properties of 3-[(2,5-difluorophenyl)hydrazinylidene]piperidin-2-one?
3-[(2,5-difluorophenyl)hydrazinylidene]piperidin-2-one has a molecular weight of 239.22 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-difluorophenyl)hydrazinylidene]piperidin-2-one is sourced from PubChem (CID 2740090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).