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

C15H24BrN3O — CID 143961711

IUPAC(3Z)-3-[(4-bromophenyl)hydrazinylidene]piperidin-2-one;ethane
SMILESCC.CC.O=C1NCCC/C1=N/Nc1ccc(Br)cc1
InChIInChI=1S/C11H12BrN3O.2C2H6/c12-8-3-5-9(6-4-8)14-15-10-2-1-7-13-11(10)16;2*1-2/h3-6,14H,1-2,7H2,(H,13,16);2*1-2H3/b15-10-;;
InChIKeyLVYAYAASBDJCHW-RDHFQGMDSA-N
MW342.28 g/mol
LogP4.18
Rot. Bonds2

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

(3Z)-3-[(4-bromophenyl)hydrazinylidene]piperidin-2-one;ethane (PubChem CID 143961711) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is (3Z)-3-[(4-bromophenyl)hydrazinylidene]piperidin-2-one;ethane.

Molecular Properties

Compound Name(3Z)-3-[(4-bromophenyl)hydrazinylidene]piperidin-2-one;ethane
PubChem CID143961711
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC Name(3Z)-3-[(4-bromophenyl)hydrazinylidene]piperidin-2-one;ethane
SMILESCC.CC.O=C1NCCC/C1=N/Nc1ccc(Br)cc1
InChIInChI=1S/C11H12BrN3O.2C2H6/c12-8-3-5-9(6-4-8)14-15-10-2-1-7-13-11(10)16;2*1-2/h3-6,14H,1-2,7H2,(H,13,16);2*1-2H3/b15-10-;;
InChIKeyLVYAYAASBDJCHW-RDHFQGMDSA-N
XLogP4.18
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.18
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 (3Z)-3-[(4-bromophenyl)hydrazinylidene]piperidin-2-one;ethane?
The IUPAC name of (3Z)-3-[(4-bromophenyl)hydrazinylidene]piperidin-2-one;ethane (CID 143961711) is (3Z)-3-[(4-bromophenyl)hydrazinylidene]piperidin-2-one;ethane.
What is the SMILES notation for (3Z)-3-[(4-bromophenyl)hydrazinylidene]piperidin-2-one;ethane?
The canonical SMILES for (3Z)-3-[(4-bromophenyl)hydrazinylidene]piperidin-2-one;ethane is CC.CC.O=C1NCCC/C1=N/Nc1ccc(Br)cc1.
What is the InChIKey of (3Z)-3-[(4-bromophenyl)hydrazinylidene]piperidin-2-one;ethane?
The InChIKey is LVYAYAASBDJCHW-RDHFQGMDSA-N. The full InChI is InChI=1S/C11H12BrN3O.2C2H6/c12-8-3-5-9(6-4-8)14-15-10-2-1-7-13-11(10)16;2*1-2/h3-6,14H,1-2,7H2,(H,13,16);2*1-2H3/b15-10-;;.
What are the key properties of (3Z)-3-[(4-bromophenyl)hydrazinylidene]piperidin-2-one;ethane?
(3Z)-3-[(4-bromophenyl)hydrazinylidene]piperidin-2-one;ethane has a molecular weight of 342.28 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-bromophenyl)hydrazinylidene]piperidin-2-one;ethane is sourced from PubChem (CID 143961711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).