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

C15H14N2O3 — CID 2839567

IUPAC2-amino-4-(furan-2-yl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
SMILESCC1CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1ccco1
InChIInChI=1S/C15H14N2O3/c1-8-5-10(18)14-12(6-8)20-15(17)9(7-16)13(14)11-3-2-4-19-11/h2-4,8,13H,5-6,17H2,1H3
InChIKeyBFLOUWWCZJGLNU-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.34
Rot. Bonds1

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

2-amino-4-(furan-2-yl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile (PubChem CID 2839567) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-amino-4-(furan-2-yl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(furan-2-yl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
PubChem CID2839567
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-amino-4-(furan-2-yl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
SMILESCC1CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1ccco1
InChIInChI=1S/C15H14N2O3/c1-8-5-10(18)14-12(6-8)20-15(17)9(7-16)13(14)11-3-2-4-19-11/h2-4,8,13H,5-6,17H2,1H3
InChIKeyBFLOUWWCZJGLNU-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-Methyl-2-furyl)butanal
CID 3578033
5-Acetyl-2-amino-4-(2-furanyl)-6-methyl-4H-pyran-3-carbonitrile
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2-amino-4-(furan-3-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 2839408
2-amino-7-methyl-4-(5-methylfuran-2-yl)-5-oxo-4H,5H-pyrano[3,2-c]pyran-3-carbonitrile
CID 3156318
ethyl 6-amino-5-cyano-4-(furan-2-yl)-2-propyl-4H-pyran-3-carboxylate
CID 3160917
ethyl 6-amino-5-cyano-4-(furan-2-yl)-2-phenyl-4H-pyran-3-carboxylate
CID 662548
prop-2-en-1-yl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate
CID 534380
Cambridge id 5278572
CID 2839149
ethyl 6-amino-5-cyano-2-methyl-4-(5-methylfuran-2-yl)-4H-pyran-3-carboxylate
CID 3129415
2-Amino-4-((E)-2-furan-2-yl-1-methyl-vinyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 5769217
2-amino-4-(furan-2-yl)-6-hydroxy-5,8-dioxo-7-undecyl-4H-chromene-3-carbonitrile
CID 145982009
methyl 6-amino-5-cyano-4-(2-furyl)-2-methyl-4H-pyran-3-carboxylate
CID 2951768

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(furan-2-yl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The IUPAC name of 2-amino-4-(furan-2-yl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile (CID 2839567) is 2-amino-4-(furan-2-yl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(furan-2-yl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(furan-2-yl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile is CC1CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1ccco1.
What is the InChIKey of 2-amino-4-(furan-2-yl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The InChIKey is BFLOUWWCZJGLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-8-5-10(18)14-12(6-8)20-15(17)9(7-16)13(14)11-3-2-4-19-11/h2-4,8,13H,5-6,17H2,1H3.
What are the key properties of 2-amino-4-(furan-2-yl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile?
2-amino-4-(furan-2-yl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile has a molecular weight of 270.29 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(furan-2-yl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile is sourced from PubChem (CID 2839567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).