3-[(4-bromophenyl)hydrazinylidene]piperidin-2-one

C11H12BrN3O — CID 3814823

IUPAC3-[(4-bromophenyl)hydrazinylidene]piperidin-2-one
SMILESO=C1NCCCC1=NNc1ccc(Br)cc1
InChIInChI=1S/C11H12BrN3O/c12-8-3-5-9(6-4-8)14-15-10-2-1-7-13-11(10)16/h3-6,14H,1-2,7H2,(H,13,16)
InChIKeySCVDTEHDHGYDMX-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.13
Rot. Bonds2

About 3-[(4-bromophenyl)hydrazinylidene]piperidin-2-one

3-[(4-bromophenyl)hydrazinylidene]piperidin-2-one (PubChem CID 3814823) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 3-[(4-bromophenyl)hydrazinylidene]piperidin-2-one.

Molecular Properties

Compound Name3-[(4-bromophenyl)hydrazinylidene]piperidin-2-one
PubChem CID3814823
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name3-[(4-bromophenyl)hydrazinylidene]piperidin-2-one
SMILESO=C1NCCCC1=NNc1ccc(Br)cc1
InChIInChI=1S/C11H12BrN3O/c12-8-3-5-9(6-4-8)14-15-10-2-1-7-13-11(10)16/h3-6,14H,1-2,7H2,(H,13,16)
InChIKeySCVDTEHDHGYDMX-UHFFFAOYSA-N
XLogP2.13
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.13
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 3-[(4-bromophenyl)hydrazinylidene]piperidin-2-one?
The IUPAC name of 3-[(4-bromophenyl)hydrazinylidene]piperidin-2-one (CID 3814823) is 3-[(4-bromophenyl)hydrazinylidene]piperidin-2-one.
What is the SMILES notation for 3-[(4-bromophenyl)hydrazinylidene]piperidin-2-one?
The canonical SMILES for 3-[(4-bromophenyl)hydrazinylidene]piperidin-2-one is O=C1NCCCC1=NNc1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)hydrazinylidene]piperidin-2-one?
The InChIKey is SCVDTEHDHGYDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c12-8-3-5-9(6-4-8)14-15-10-2-1-7-13-11(10)16/h3-6,14H,1-2,7H2,(H,13,16).
What are the key properties of 3-[(4-bromophenyl)hydrazinylidene]piperidin-2-one?
3-[(4-bromophenyl)hydrazinylidene]piperidin-2-one has a molecular weight of 282.14 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)hydrazinylidene]piperidin-2-one is sourced from PubChem (CID 3814823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).