ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate

C9H10N2O3 — CID 693184

IUPACethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(N)c1C#N
InChIInChI=1S/C9H10N2O3/c1-3-13-9(12)7-5(2)14-8(11)6(7)4-10/h3,11H2,1-2H3
InChIKeyVMLFLMJTRHHRBL-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.22
Rot. Bonds2

About ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate

ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate (PubChem CID 693184) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate
PubChem CID693184
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Nameethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(N)c1C#N
InChIInChI=1S/C9H10N2O3/c1-3-13-9(12)7-5(2)14-8(11)6(7)4-10/h3,11H2,1-2H3
InChIKeyVMLFLMJTRHHRBL-UHFFFAOYSA-N
XLogP1.22
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate?
The IUPAC name of ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate (CID 693184) is ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate?
The canonical SMILES for ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate is CCOC(=O)c1c(C)oc(N)c1C#N.
What is the InChIKey of ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate?
The InChIKey is VMLFLMJTRHHRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-3-13-9(12)7-5(2)14-8(11)6(7)4-10/h3,11H2,1-2H3.
What are the key properties of ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate?
ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate has a molecular weight of 194.19 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate is sourced from PubChem (CID 693184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).