2-amino-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile

C15H14N2O3 — CID 2840439

IUPAC2-amino-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
SMILESCc1ccc(C2C(C#N)=C(N)OC3=C2C(=O)CCC3)o1
InChIInChI=1S/C15H14N2O3/c1-8-5-6-12(19-8)13-9(7-16)15(17)20-11-4-2-3-10(18)14(11)13/h5-6,13H,2-4,17H2,1H3
InChIKeyRNTJLPACTSSXQQ-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.40
Rot. Bonds1

About 2-amino-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile

2-amino-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile (PubChem CID 2840439) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-amino-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
PubChem CID2840439
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-amino-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
SMILESCc1ccc(C2C(C#N)=C(N)OC3=C2C(=O)CCC3)o1
InChIInChI=1S/C15H14N2O3/c1-8-5-6-12(19-8)13-9(7-16)15(17)20-11-4-2-3-10(18)14(11)13/h5-6,13H,2-4,17H2,1H3
InChIKeyRNTJLPACTSSXQQ-UHFFFAOYSA-N
XLogP2.40
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The IUPAC name of 2-amino-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile (CID 2840439) is 2-amino-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile is Cc1ccc(C2C(C#N)=C(N)OC3=C2C(=O)CCC3)o1.
What is the InChIKey of 2-amino-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The InChIKey is RNTJLPACTSSXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-8-5-6-12(19-8)13-9(7-16)15(17)20-11-4-2-3-10(18)14(11)13/h5-6,13H,2-4,17H2,1H3.
What are the key properties of 2-amino-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile?
2-amino-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile has a molecular weight of 270.29 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile is sourced from PubChem (CID 2840439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).