ethyl (2Z)-2-[bromo(2-hydroxypropyl)hydrazinylidene]acetate

C7H13BrN2O3 — CID 175254321

IUPACethyl (2Z)-2-[bromo(2-hydroxypropyl)hydrazinylidene]acetate
SMILESCCOC(=O)/C=N\N(Br)CC(C)O
InChIInChI=1S/C7H13BrN2O3/c1-3-13-7(12)4-9-10(8)5-6(2)11/h4,6,11H,3,5H2,1-2H3/b9-4-
InChIKeyJDWZTRPIQCZZPT-WTKPLQERSA-N
MW253.10 g/mol
LogP0.53
Rot. Bonds5

About ethyl (2Z)-2-[bromo(2-hydroxypropyl)hydrazinylidene]acetate

ethyl (2Z)-2-[bromo(2-hydroxypropyl)hydrazinylidene]acetate (PubChem CID 175254321) has the molecular formula C7H13BrN2O3 and a molecular weight of 253.10 g/mol. Its IUPAC name is ethyl (2Z)-2-[bromo(2-hydroxypropyl)hydrazinylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[bromo(2-hydroxypropyl)hydrazinylidene]acetate
PubChem CID175254321
Molecular FormulaC7H13BrN2O3
Molecular Weight253.10 g/mol
Exact Mass252.01
IUPAC Nameethyl (2Z)-2-[bromo(2-hydroxypropyl)hydrazinylidene]acetate
SMILESCCOC(=O)/C=N\N(Br)CC(C)O
InChIInChI=1S/C7H13BrN2O3/c1-3-13-7(12)4-9-10(8)5-6(2)11/h4,6,11H,3,5H2,1-2H3/b9-4-
InChIKeyJDWZTRPIQCZZPT-WTKPLQERSA-N
XLogP0.53
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromopropane;diethyl but-2-enedioate
CID 158645585
ethyl 2-[2-hydroxypropyl(methyl)amino]-2-oxoacetate
CID 62338582
(2-ethoxy-2-oxoethylidene)rhodium
CID 135017037
ethyl 3-(dimethylamino)butanoate
CID 3020377
ethyl (2E)-2-methylsulfonyliminoacetate
CID 177403590
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
ethyl (E)-4-(dimethylamino)-2,5-dimethylhex-2-enoate
CID 88573956
ethyl prop-2-enoate;propane-1,2-diol;prop-2-enoic acid
CID 174768003
bis(butan-2-ol);ethyl acetate
CID 139558654
diethyl 2,3-bis(dimethylamino)butanedioate
CID 13493507
ethyl 2-oxoacetate;palladium;hydrate
CID 174594654
diethyl 2-nitrosobut-2-enedioate
CID 123396448

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[bromo(2-hydroxypropyl)hydrazinylidene]acetate?
The IUPAC name of ethyl (2Z)-2-[bromo(2-hydroxypropyl)hydrazinylidene]acetate (CID 175254321) is ethyl (2Z)-2-[bromo(2-hydroxypropyl)hydrazinylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-[bromo(2-hydroxypropyl)hydrazinylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-[bromo(2-hydroxypropyl)hydrazinylidene]acetate is CCOC(=O)/C=N\N(Br)CC(C)O.
What is the InChIKey of ethyl (2Z)-2-[bromo(2-hydroxypropyl)hydrazinylidene]acetate?
The InChIKey is JDWZTRPIQCZZPT-WTKPLQERSA-N. The full InChI is InChI=1S/C7H13BrN2O3/c1-3-13-7(12)4-9-10(8)5-6(2)11/h4,6,11H,3,5H2,1-2H3/b9-4-.
What are the key properties of ethyl (2Z)-2-[bromo(2-hydroxypropyl)hydrazinylidene]acetate?
ethyl (2Z)-2-[bromo(2-hydroxypropyl)hydrazinylidene]acetate has a molecular weight of 253.10 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[bromo(2-hydroxypropyl)hydrazinylidene]acetate is sourced from PubChem (CID 175254321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).