ethyl 2-(1-chlorobutylidenehydrazinylidene)-2-(furan-2-yl)acetate

C12H15ClN2O3 — CID 54356267

IUPACethyl 2-(1-chlorobutylidenehydrazinylidene)-2-(furan-2-yl)acetate
SMILESCCCC(Cl)=NN=C(C(=O)OCC)c1ccco1
InChIInChI=1S/C12H15ClN2O3/c1-3-6-10(13)14-15-11(12(16)17-4-2)9-7-5-8-18-9/h5,7-8H,3-4,6H2,1-2H3
InChIKeyUJHQTWHRRZXYBB-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.98
Rot. Bonds6

About ethyl 2-(1-chlorobutylidenehydrazinylidene)-2-(furan-2-yl)acetate

ethyl 2-(1-chlorobutylidenehydrazinylidene)-2-(furan-2-yl)acetate (PubChem CID 54356267) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is ethyl 2-(1-chlorobutylidenehydrazinylidene)-2-(furan-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-chlorobutylidenehydrazinylidene)-2-(furan-2-yl)acetate
PubChem CID54356267
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Nameethyl 2-(1-chlorobutylidenehydrazinylidene)-2-(furan-2-yl)acetate
SMILESCCCC(Cl)=NN=C(C(=O)OCC)c1ccco1
InChIInChI=1S/C12H15ClN2O3/c1-3-6-10(13)14-15-11(12(16)17-4-2)9-7-5-8-18-9/h5,7-8H,3-4,6H2,1-2H3
InChIKeyUJHQTWHRRZXYBB-UHFFFAOYSA-N
XLogP2.98
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

ethyl 3-(furan-2-yl)-3-oxopropanoate
CID 2759240
diethyl 2-amino-2-(furan-2-carbonyl)propanedioate
CID 174833860
ethyl 2-(furan-2-carbonyl)-3-oxobutanoate
CID 2759235
ethyl 2-[2,5-diethoxy-4-(furan-2-carbonylamino)anilino]-2-oxoacetate
CID 3186760
methyl (2Z)-2-(furan-2-yl)-2-hydroxyiminoacetate
CID 87793315
ethyl 3-(furan-2-yl)-2-oxo-3-(triphenyl-lambda5-phosphanylidene)propanoate
CID 10863134
sodium;ethyl 3-(furan-2-yl)-3-oxopropanoate;hydride
CID 175451832
ethyl 2-benzyl-3-(furan-2-yl)-3-oxopropanoate
CID 3804703
(2Z)-2-(furan-2-yl)-2-methoxyiminoacetamide
CID 19883955
ethyl 2,2-difluoro-3-(furan-2-yl)-3-oxopropanoate
CID 14249560
ethyl (3S)-4-(furan-2-yl)-3-methyl-4-oxobutanoate
CID 134968543
bromomethyl furan-2-carboxylate
CID 54363056

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-chlorobutylidenehydrazinylidene)-2-(furan-2-yl)acetate?
The IUPAC name of ethyl 2-(1-chlorobutylidenehydrazinylidene)-2-(furan-2-yl)acetate (CID 54356267) is ethyl 2-(1-chlorobutylidenehydrazinylidene)-2-(furan-2-yl)acetate.
What is the SMILES notation for ethyl 2-(1-chlorobutylidenehydrazinylidene)-2-(furan-2-yl)acetate?
The canonical SMILES for ethyl 2-(1-chlorobutylidenehydrazinylidene)-2-(furan-2-yl)acetate is CCCC(Cl)=NN=C(C(=O)OCC)c1ccco1.
What is the InChIKey of ethyl 2-(1-chlorobutylidenehydrazinylidene)-2-(furan-2-yl)acetate?
The InChIKey is UJHQTWHRRZXYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-3-6-10(13)14-15-11(12(16)17-4-2)9-7-5-8-18-9/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of ethyl 2-(1-chlorobutylidenehydrazinylidene)-2-(furan-2-yl)acetate?
ethyl 2-(1-chlorobutylidenehydrazinylidene)-2-(furan-2-yl)acetate has a molecular weight of 270.72 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-chlorobutylidenehydrazinylidene)-2-(furan-2-yl)acetate is sourced from PubChem (CID 54356267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).