2-[(4-bromophenyl)hydrazinylidene]-4-methylcyclohept-3-en-1-one

C14H15BrN2O — CID 123259727

IUPAC2-[(4-bromophenyl)hydrazinylidene]-4-methylcyclohept-3-en-1-one
SMILESCC1=CC(=NNc2ccc(Br)cc2)C(=O)CCC1
InChIInChI=1S/C14H15BrN2O/c1-10-3-2-4-14(18)13(9-10)17-16-12-7-5-11(15)6-8-12/h5-9,16H,2-4H2,1H3
InChIKeyKXDLJYMXWMJGIR-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.92
Rot. Bonds2

About 2-[(4-bromophenyl)hydrazinylidene]-4-methylcyclohept-3-en-1-one

2-[(4-bromophenyl)hydrazinylidene]-4-methylcyclohept-3-en-1-one (PubChem CID 123259727) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-[(4-bromophenyl)hydrazinylidene]-4-methylcyclohept-3-en-1-one.

Molecular Properties

Compound Name2-[(4-bromophenyl)hydrazinylidene]-4-methylcyclohept-3-en-1-one
PubChem CID123259727
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name2-[(4-bromophenyl)hydrazinylidene]-4-methylcyclohept-3-en-1-one
SMILESCC1=CC(=NNc2ccc(Br)cc2)C(=O)CCC1
InChIInChI=1S/C14H15BrN2O/c1-10-3-2-4-14(18)13(9-10)17-16-12-7-5-11(15)6-8-12/h5-9,16H,2-4H2,1H3
InChIKeyKXDLJYMXWMJGIR-UHFFFAOYSA-N
XLogP3.92
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(4-bromophenyl)hydrazinylidene]cyclohexan-1-one
CID 56623987
(3Z)-3-[(4-bromophenyl)hydrazinylidene]piperidin-2-one;ethane
CID 143961711
4-bromo-N-(cyclohexylideneamino)aniline
CID 4167253
(3E)-3-[(4-bromophenyl)hydrazinylidene]-5-methylpiperidin-2-one
CID 91620697
(2E)-2-[(4-tert-butylphenyl)hydrazinylidene]cyclohexan-1-one
CID 6107629
6-[(4-bromophenyl)hydrazinylidene]-1,3-diazinane-2,4-dione
CID 137176460
N-[4-[(2E)-2-(2-oxocyclohexylidene)hydrazinyl]phenyl]acetamide
CID 6270840
1-[(4-bromophenyl)hydrazinylidene]-1-piperidin-1-ylpropan-2-one
CID 830626
6-bromo-3,4-dihydro-2H-naphthalen-1-one;6-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 158909517
N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]-4-(4-propan-2-ylphenyl)sulfonylaniline
CID 9463442
N-(4-bromophenyl)-2-oxopropanehydrazonoyl chloride
CID 2771519
4-bromo-N-[[(2E)-2-[(4-bromophenyl)hydrazinylidene]acenaphthylen-1-ylidene]amino]aniline
CID 174781230

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)hydrazinylidene]-4-methylcyclohept-3-en-1-one?
The IUPAC name of 2-[(4-bromophenyl)hydrazinylidene]-4-methylcyclohept-3-en-1-one (CID 123259727) is 2-[(4-bromophenyl)hydrazinylidene]-4-methylcyclohept-3-en-1-one.
What is the SMILES notation for 2-[(4-bromophenyl)hydrazinylidene]-4-methylcyclohept-3-en-1-one?
The canonical SMILES for 2-[(4-bromophenyl)hydrazinylidene]-4-methylcyclohept-3-en-1-one is CC1=CC(=NNc2ccc(Br)cc2)C(=O)CCC1.
What is the InChIKey of 2-[(4-bromophenyl)hydrazinylidene]-4-methylcyclohept-3-en-1-one?
The InChIKey is KXDLJYMXWMJGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-10-3-2-4-14(18)13(9-10)17-16-12-7-5-11(15)6-8-12/h5-9,16H,2-4H2,1H3.
What are the key properties of 2-[(4-bromophenyl)hydrazinylidene]-4-methylcyclohept-3-en-1-one?
2-[(4-bromophenyl)hydrazinylidene]-4-methylcyclohept-3-en-1-one has a molecular weight of 307.19 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)hydrazinylidene]-4-methylcyclohept-3-en-1-one is sourced from PubChem (CID 123259727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).