ethyl 6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate

C14H14N2O4 — CID 2838740

IUPACethyl 6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate
SMILESCCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccoc1
InChIInChI=1S/C14H14N2O4/c1-3-19-14(17)11-8(2)20-13(16)10(6-15)12(11)9-4-5-18-7-9/h4-5,7,12H,3,16H2,1-2H3
InChIKeyQGNGQBYMCCGUSU-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.92
Rot. Bonds3

About ethyl 6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate

ethyl 6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate (PubChem CID 2838740) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is ethyl 6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate
PubChem CID2838740
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Nameethyl 6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate
SMILESCCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccoc1
InChIInChI=1S/C14H14N2O4/c1-3-19-14(17)11-8(2)20-13(16)10(6-15)12(11)9-4-5-18-7-9/h4-5,7,12H,3,16H2,1-2H3
InChIKeyQGNGQBYMCCGUSU-UHFFFAOYSA-N
XLogP1.92
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate?
The IUPAC name of ethyl 6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate (CID 2838740) is ethyl 6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate.
What is the SMILES notation for ethyl 6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate?
The canonical SMILES for ethyl 6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate is CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccoc1.
What is the InChIKey of ethyl 6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate?
The InChIKey is QGNGQBYMCCGUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-3-19-14(17)11-8(2)20-13(16)10(6-15)12(11)9-4-5-18-7-9/h4-5,7,12H,3,16H2,1-2H3.
What are the key properties of ethyl 6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate?
ethyl 6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate has a molecular weight of 274.28 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate is sourced from PubChem (CID 2838740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).