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

C14H10N2O3S — CID 2839009

IUPAC2-amino-7-methyl-5-oxo-4-thiophen-2-yl-4H-pyrano[3,2-c]pyran-3-carbonitrile
SMILESCc1cc2c(c(=O)o1)C(c1cccs1)C(C#N)=C(N)O2
InChIInChI=1S/C14H10N2O3S/c1-7-5-9-12(14(17)18-7)11(10-3-2-4-20-10)8(6-15)13(16)19-9/h2-5,11H,16H2,1H3
InChIKeyPJDTZFALUHHEAN-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.23
Rot. Bonds1

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

2-amino-7-methyl-5-oxo-4-thiophen-2-yl-4H-pyrano[3,2-c]pyran-3-carbonitrile (PubChem CID 2839009) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-amino-7-methyl-5-oxo-4-thiophen-2-yl-4H-pyrano[3,2-c]pyran-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-methyl-5-oxo-4-thiophen-2-yl-4H-pyrano[3,2-c]pyran-3-carbonitrile
PubChem CID2839009
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Name2-amino-7-methyl-5-oxo-4-thiophen-2-yl-4H-pyrano[3,2-c]pyran-3-carbonitrile
SMILESCc1cc2c(c(=O)o1)C(c1cccs1)C(C#N)=C(N)O2
InChIInChI=1S/C14H10N2O3S/c1-7-5-9-12(14(17)18-7)11(10-3-2-4-20-10)8(6-15)13(16)19-9/h2-5,11H,16H2,1H3
InChIKeyPJDTZFALUHHEAN-UHFFFAOYSA-N
XLogP2.23
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-methyl-5-oxo-4-thiophen-2-yl-4H-pyrano[3,2-c]pyran-3-carbonitrile?
The IUPAC name of 2-amino-7-methyl-5-oxo-4-thiophen-2-yl-4H-pyrano[3,2-c]pyran-3-carbonitrile (CID 2839009) is 2-amino-7-methyl-5-oxo-4-thiophen-2-yl-4H-pyrano[3,2-c]pyran-3-carbonitrile.
What is the SMILES notation for 2-amino-7-methyl-5-oxo-4-thiophen-2-yl-4H-pyrano[3,2-c]pyran-3-carbonitrile?
The canonical SMILES for 2-amino-7-methyl-5-oxo-4-thiophen-2-yl-4H-pyrano[3,2-c]pyran-3-carbonitrile is Cc1cc2c(c(=O)o1)C(c1cccs1)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-7-methyl-5-oxo-4-thiophen-2-yl-4H-pyrano[3,2-c]pyran-3-carbonitrile?
The InChIKey is PJDTZFALUHHEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S/c1-7-5-9-12(14(17)18-7)11(10-3-2-4-20-10)8(6-15)13(16)19-9/h2-5,11H,16H2,1H3.
What are the key properties of 2-amino-7-methyl-5-oxo-4-thiophen-2-yl-4H-pyrano[3,2-c]pyran-3-carbonitrile?
2-amino-7-methyl-5-oxo-4-thiophen-2-yl-4H-pyrano[3,2-c]pyran-3-carbonitrile has a molecular weight of 286.31 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-methyl-5-oxo-4-thiophen-2-yl-4H-pyrano[3,2-c]pyran-3-carbonitrile is sourced from PubChem (CID 2839009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).