(4S)-2-amino-7-methyl-4-(5-methylfuran-2-yl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile

C15H12N2O4 — CID 682984

IUPAC(4S)-2-amino-7-methyl-4-(5-methylfuran-2-yl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
SMILESCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)o1
InChIInChI=1S/C15H12N2O4/c1-7-3-4-10(19-7)12-9(6-16)14(17)21-11-5-8(2)20-15(18)13(11)12/h3-5,12H,17H2,1-2H3/t12-/m1/s1
InChIKeyDVICJWMBBNFJRE-GFCCVEGCSA-N
MW284.27 g/mol
LogP2.07
Rot. Bonds1

About (4S)-2-amino-7-methyl-4-(5-methylfuran-2-yl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile

(4S)-2-amino-7-methyl-4-(5-methylfuran-2-yl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile (PubChem CID 682984) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is (4S)-2-amino-7-methyl-4-(5-methylfuran-2-yl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile.

Molecular Properties

Compound Name(4S)-2-amino-7-methyl-4-(5-methylfuran-2-yl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
PubChem CID682984
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name(4S)-2-amino-7-methyl-4-(5-methylfuran-2-yl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
SMILESCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)o1
InChIInChI=1S/C15H12N2O4/c1-7-3-4-10(19-7)12-9(6-16)14(17)21-11-5-8(2)20-15(18)13(11)12/h3-5,12H,17H2,1-2H3/t12-/m1/s1
InChIKeyDVICJWMBBNFJRE-GFCCVEGCSA-N
XLogP2.07
TPSA102.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-amino-7-methyl-4-(5-methylfuran-2-yl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile?
The IUPAC name of (4S)-2-amino-7-methyl-4-(5-methylfuran-2-yl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile (CID 682984) is (4S)-2-amino-7-methyl-4-(5-methylfuran-2-yl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile.
What is the SMILES notation for (4S)-2-amino-7-methyl-4-(5-methylfuran-2-yl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile?
The canonical SMILES for (4S)-2-amino-7-methyl-4-(5-methylfuran-2-yl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile is Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)o1.
What is the InChIKey of (4S)-2-amino-7-methyl-4-(5-methylfuran-2-yl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile?
The InChIKey is DVICJWMBBNFJRE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-7-3-4-10(19-7)12-9(6-16)14(17)21-11-5-8(2)20-15(18)13(11)12/h3-5,12H,17H2,1-2H3/t12-/m1/s1.
What are the key properties of (4S)-2-amino-7-methyl-4-(5-methylfuran-2-yl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile?
(4S)-2-amino-7-methyl-4-(5-methylfuran-2-yl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile has a molecular weight of 284.27 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-amino-7-methyl-4-(5-methylfuran-2-yl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile is sourced from PubChem (CID 682984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).