ethyl 3-(5-cyclopropylfuran-2-yl)-2-hydroxyiminopropanoate

C12H15NO4 — CID 142461554

IUPACethyl 3-(5-cyclopropylfuran-2-yl)-2-hydroxyiminopropanoate
SMILESCCOC(=O)C(Cc1ccc(C2CC2)o1)=NO
InChIInChI=1S/C12H15NO4/c1-2-16-12(14)10(13-15)7-9-5-6-11(17-9)8-3-4-8/h5-6,8,15H,2-4,7H2,1H3
InChIKeyQPHYGRXUVODUHI-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.09
Rot. Bonds5

About ethyl 3-(5-cyclopropylfuran-2-yl)-2-hydroxyiminopropanoate

ethyl 3-(5-cyclopropylfuran-2-yl)-2-hydroxyiminopropanoate (PubChem CID 142461554) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is ethyl 3-(5-cyclopropylfuran-2-yl)-2-hydroxyiminopropanoate.

Molecular Properties

Compound Nameethyl 3-(5-cyclopropylfuran-2-yl)-2-hydroxyiminopropanoate
PubChem CID142461554
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Nameethyl 3-(5-cyclopropylfuran-2-yl)-2-hydroxyiminopropanoate
SMILESCCOC(=O)C(Cc1ccc(C2CC2)o1)=NO
InChIInChI=1S/C12H15NO4/c1-2-16-12(14)10(13-15)7-9-5-6-11(17-9)8-3-4-8/h5-6,8,15H,2-4,7H2,1H3
InChIKeyQPHYGRXUVODUHI-UHFFFAOYSA-N
XLogP2.09
TPSA72.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-hydroxyimino-3-(4-methylphenyl)propanoate
CID 142461557
ethyl (2E)-5-cyclohexyl-2-hydroxyiminopentanoate
CID 18370085
2-[5-(4-methylcyclohexyl)furan-2-yl]ethanamine
CID 83833926
N-[[5-(4-aminocyclohexyl)furan-2-yl]methyl]acetamide
CID 57321061
ethyl (2E)-2-amino-2-hydroxyiminoacetate
CID 6411350
ethyl 2-hydroxyimino-3-(2-nitrophenyl)propanoate
CID 6786703
1-O-ethyl 5-O-methyl (2Z)-2-hydroxyiminopentanedioate
CID 88776427
ethyl (2Z,4E)-2,4-bis(hydroxyimino)butanoate
CID 139266119
[(3Z)-4-ethoxy-3-hydroxyimino-4-oxobutyl]-diethyl-methylazanium
CID 7380937
ethyl (2E)-2-hydroxyimino-2-[4-(oxan-4-yl)phenyl]acetate
CID 123718793
ethyl (2E)-2-hydroxyimino-5,5-dimethylhexanoate
CID 18370813
ethyl 2-hydroxyimino-3-(4-hydroxypiperidin-1-yl)propanoate
CID 85434641

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-cyclopropylfuran-2-yl)-2-hydroxyiminopropanoate?
The IUPAC name of ethyl 3-(5-cyclopropylfuran-2-yl)-2-hydroxyiminopropanoate (CID 142461554) is ethyl 3-(5-cyclopropylfuran-2-yl)-2-hydroxyiminopropanoate.
What is the SMILES notation for ethyl 3-(5-cyclopropylfuran-2-yl)-2-hydroxyiminopropanoate?
The canonical SMILES for ethyl 3-(5-cyclopropylfuran-2-yl)-2-hydroxyiminopropanoate is CCOC(=O)C(Cc1ccc(C2CC2)o1)=NO.
What is the InChIKey of ethyl 3-(5-cyclopropylfuran-2-yl)-2-hydroxyiminopropanoate?
The InChIKey is QPHYGRXUVODUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-2-16-12(14)10(13-15)7-9-5-6-11(17-9)8-3-4-8/h5-6,8,15H,2-4,7H2,1H3.
What are the key properties of ethyl 3-(5-cyclopropylfuran-2-yl)-2-hydroxyiminopropanoate?
ethyl 3-(5-cyclopropylfuran-2-yl)-2-hydroxyiminopropanoate has a molecular weight of 237.25 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-cyclopropylfuran-2-yl)-2-hydroxyiminopropanoate is sourced from PubChem (CID 142461554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).