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

C15H14N2O4 — CID 658222

IUPACprop-2-enyl 6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate
SMILESC=CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccoc1
InChIInChI=1S/C15H14N2O4/c1-3-5-20-15(18)12-9(2)21-14(17)11(7-16)13(12)10-4-6-19-8-10/h3-4,6,8,13H,1,5,17H2,2H3
InChIKeyGOAVATSLOKIUGD-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.09
Rot. Bonds4

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

prop-2-enyl 6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate (PubChem CID 658222) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is prop-2-enyl 6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate
PubChem CID658222
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Nameprop-2-enyl 6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate
SMILESC=CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccoc1
InChIInChI=1S/C15H14N2O4/c1-3-5-20-15(18)12-9(2)21-14(17)11(7-16)13(12)10-4-6-19-8-10/h3-4,6,8,13H,1,5,17H2,2H3
InChIKeyGOAVATSLOKIUGD-UHFFFAOYSA-N
XLogP2.09
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(furan-3-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 2839408
prop-2-en-1-yl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate
CID 534380
ethyl 6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate
CID 2838740
methyl 6-amino-5-cyano-4-(2-furyl)-2-methyl-4H-pyran-3-carboxylate
CID 2951768
ethyl 2-amino-4-(furan-3-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
CID 644439
6-Amino-5-cyano-4-furan-3-yl-2-methyl-4H-pyran-3-carboxylic acid benzyl ester
CID 644533
methyl 2-amino-4-(furan-3-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
CID 652661
ethyl 2-amino-5-cyano-4-(2-furyl)-6-methyl-4H-pyran-3-carboxylate
CID 3303013
2-amino-4-(furan-3-yl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 2838785
2-amino-4-(furan-3-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 2839606
ethyl 6-amino-5-cyano-4-(2-furyl)-2-methyl-4H-pyran-3-carboxylate
CID 3130156
Diethyl 4-(furan-3-yl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylate
CID 46888082

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate?
The IUPAC name of prop-2-enyl 6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate (CID 658222) is prop-2-enyl 6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate.
What is the SMILES notation for prop-2-enyl 6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate?
The canonical SMILES for prop-2-enyl 6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate is C=CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccoc1.
What is the InChIKey of prop-2-enyl 6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate?
The InChIKey is GOAVATSLOKIUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-3-5-20-15(18)12-9(2)21-14(17)11(7-16)13(12)10-4-6-19-8-10/h3-4,6,8,13H,1,5,17H2,2H3.
What are the key properties of prop-2-enyl 6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate?
prop-2-enyl 6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate has a molecular weight of 286.29 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate is sourced from PubChem (CID 658222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).