2-amino-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyran-3-carbonitrile

C16H12N2O3 — CID 608903

IUPAC2-amino-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyran-3-carbonitrile
SMILESCc1cc2c(c(=O)o1)C(c1ccccc1)C(C#N)=C(N)O2
InChIInChI=1S/C16H12N2O3/c1-9-7-12-14(16(19)20-9)13(10-5-3-2-4-6-10)11(8-17)15(18)21-12/h2-7,13H,18H2,1H3
InChIKeyYUBIPEJSAWGMBV-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.17
Rot. Bonds1

About 2-amino-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyran-3-carbonitrile

2-amino-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyran-3-carbonitrile (PubChem CID 608903) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-amino-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyran-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyran-3-carbonitrile
PubChem CID608903
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name2-amino-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyran-3-carbonitrile
SMILESCc1cc2c(c(=O)o1)C(c1ccccc1)C(C#N)=C(N)O2
InChIInChI=1S/C16H12N2O3/c1-9-7-12-14(16(19)20-9)13(10-5-3-2-4-6-10)11(8-17)15(18)21-12/h2-7,13H,18H2,1H3
InChIKeyYUBIPEJSAWGMBV-UHFFFAOYSA-N
XLogP2.17
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

ethyl 6-amino-5-cyano-2-methyl-4-phenyl-4H-pyran-3-carboxylate
CID 2779708
2-amino-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 2737879
2-Amino-4-isobutyl-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 622148
2-Amino-5-oxo-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 605218
2-Amino-7,7-dimethyl-5-oxo-4-phenethyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 649035
ethyl 6-amino-5-cyano-2-methyl-4-(3-methylphenyl)-4H-pyran-3-carboxylate
CID 2839141
2-amino-4-cyclohexyl-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 2849105
Ethyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
CID 2732875
2-amino-4-benzyl-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
CID 660686
methyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-methyl-4H-pyran-3-carboxylate
CID 2840406
2-amino-4-benzyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 2848984
ethyl 6-amino-5-cyano-4-(2,5-difluorophenyl)-2-methyl-4H-pyran-3-carboxylate
CID 3470882

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyran-3-carbonitrile?
The IUPAC name of 2-amino-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyran-3-carbonitrile (CID 608903) is 2-amino-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyran-3-carbonitrile.
What is the SMILES notation for 2-amino-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyran-3-carbonitrile?
The canonical SMILES for 2-amino-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyran-3-carbonitrile is Cc1cc2c(c(=O)o1)C(c1ccccc1)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyran-3-carbonitrile?
The InChIKey is YUBIPEJSAWGMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-9-7-12-14(16(19)20-9)13(10-5-3-2-4-6-10)11(8-17)15(18)21-12/h2-7,13H,18H2,1H3.
What are the key properties of 2-amino-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyran-3-carbonitrile?
2-amino-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyran-3-carbonitrile has a molecular weight of 280.28 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyran-3-carbonitrile is sourced from PubChem (CID 608903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).