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

C15H14N2O4 — CID 534380

IUPACprop-2-enyl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate
SMILESC=CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccco1
InChIInChI=1S/C15H14N2O4/c1-3-6-20-15(18)12-9(2)21-14(17)10(8-16)13(12)11-5-4-7-19-11/h3-5,7,13H,1,6,17H2,2H3
InChIKeyTZAZQBPEONRNLR-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.09
Rot. Bonds4

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

prop-2-enyl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate (PubChem CID 534380) 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-2-yl)-2-methyl-4H-pyran-3-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate
PubChem CID534380
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Nameprop-2-enyl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate
SMILESC=CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccco1
InChIInChI=1S/C15H14N2O4/c1-3-6-20-15(18)12-9(2)21-14(17)10(8-16)13(12)11-5-4-7-19-11/h3-5,7,13H,1,6,17H2,2H3
InChIKeyTZAZQBPEONRNLR-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate?
The IUPAC name of prop-2-enyl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate (CID 534380) is prop-2-enyl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate.
What is the SMILES notation for prop-2-enyl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate?
The canonical SMILES for prop-2-enyl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate is C=CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccco1.
What is the InChIKey of prop-2-enyl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate?
The InChIKey is TZAZQBPEONRNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-3-6-20-15(18)12-9(2)21-14(17)10(8-16)13(12)11-5-4-7-19-11/h3-5,7,13H,1,6,17H2,2H3.
What are the key properties of prop-2-enyl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate?
prop-2-enyl 6-amino-5-cyano-4-(furan-2-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-2-yl)-2-methyl-4H-pyran-3-carboxylate is sourced from PubChem (CID 534380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).