N'-[1-(4-bromophenyl)ethenyl]-2-(cyclopenten-1-yloxy)acetohydrazide

C15H17BrN2O2 — CID 4130442

IUPACN'-[1-(4-bromophenyl)ethenyl]-2-(cyclopenten-1-yloxy)acetohydrazide
SMILESC=C(NNC(=O)COC1=CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2O2/c1-11(12-6-8-13(16)9-7-12)17-18-15(19)10-20-14-4-2-3-5-14/h4,6-9,17H,1-3,5,10H2,(H,18,19)
InChIKeyQNWVFOLCRHINLI-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.12
Rot. Bonds6

About N'-[1-(4-bromophenyl)ethenyl]-2-(cyclopenten-1-yloxy)acetohydrazide

N'-[1-(4-bromophenyl)ethenyl]-2-(cyclopenten-1-yloxy)acetohydrazide (PubChem CID 4130442) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is N'-[1-(4-bromophenyl)ethenyl]-2-(cyclopenten-1-yloxy)acetohydrazide.

Molecular Properties

Compound NameN'-[1-(4-bromophenyl)ethenyl]-2-(cyclopenten-1-yloxy)acetohydrazide
PubChem CID4130442
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC NameN'-[1-(4-bromophenyl)ethenyl]-2-(cyclopenten-1-yloxy)acetohydrazide
SMILESC=C(NNC(=O)COC1=CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2O2/c1-11(12-6-8-13(16)9-7-12)17-18-15(19)10-20-14-4-2-3-5-14/h4,6-9,17H,1-3,5,10H2,(H,18,19)
InChIKeyQNWVFOLCRHINLI-UHFFFAOYSA-N
XLogP3.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopenten-1-yloxy)-N'-[1-(4-methylphenyl)but-1-enyl]acetohydrazide
CID 3330174
2-(2-bromo-4-methylphenoxy)-N'-[1-(4-hydroxyphenyl)ethenyl]acetohydrazide
CID 4280300
2-(2-bromo-4-methylphenoxy)-N'-[1-(4-chlorophenyl)ethenyl]acetohydrazide
CID 4280299
2-(cyclopenten-1-yloxy)-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 4127721
2-(cyclopenten-1-yloxy)-N-[(Z)-1-(4-ethoxyphenyl)butylideneamino]acetamide
CID 171979121
N-[2-[2-[1-(4-bromophenyl)ethenyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 2195691
N'-[1-(3-bromophenyl)ethenyl]-2-(4-methoxyphenoxy)acetohydrazide
CID 2382990
N'-[1-(4-bromophenyl)ethenyl]pyridine-2-carbohydrazide
CID 3448394
4-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide
CID 4811581
[[2-(4-bromophenoxy)acetyl]amino]thiourea
CID 46706012
2-(4-bromophenoxy)-N'-(2-cyclopentylsulfanylacetyl)acetohydrazide
CID 8763584
[2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl] benzoate
CID 7868379

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-bromophenyl)ethenyl]-2-(cyclopenten-1-yloxy)acetohydrazide?
The IUPAC name of N'-[1-(4-bromophenyl)ethenyl]-2-(cyclopenten-1-yloxy)acetohydrazide (CID 4130442) is N'-[1-(4-bromophenyl)ethenyl]-2-(cyclopenten-1-yloxy)acetohydrazide.
What is the SMILES notation for N'-[1-(4-bromophenyl)ethenyl]-2-(cyclopenten-1-yloxy)acetohydrazide?
The canonical SMILES for N'-[1-(4-bromophenyl)ethenyl]-2-(cyclopenten-1-yloxy)acetohydrazide is C=C(NNC(=O)COC1=CCCC1)c1ccc(Br)cc1.
What is the InChIKey of N'-[1-(4-bromophenyl)ethenyl]-2-(cyclopenten-1-yloxy)acetohydrazide?
The InChIKey is QNWVFOLCRHINLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-11(12-6-8-13(16)9-7-12)17-18-15(19)10-20-14-4-2-3-5-14/h4,6-9,17H,1-3,5,10H2,(H,18,19).
What are the key properties of N'-[1-(4-bromophenyl)ethenyl]-2-(cyclopenten-1-yloxy)acetohydrazide?
N'-[1-(4-bromophenyl)ethenyl]-2-(cyclopenten-1-yloxy)acetohydrazide has a molecular weight of 337.22 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-bromophenyl)ethenyl]-2-(cyclopenten-1-yloxy)acetohydrazide is sourced from PubChem (CID 4130442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).