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

C19H20N2O3 — CID 5769217

IUPAC2-amino-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
SMILESC/C(=C\C1=CC=CO1)/C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N
InChIInChI=1S/C19H20N2O3/c1-11(7-12-5-4-6-23-12)16-13(10-20)18(21)24-15-9-19(2,3)8-14(22)17(15)16/h4-7,16H,8-9,21H2,1-3H3/b11-7+
InChIKeyLXZNLIFWDLPZFL-YRNVUSSQSA-N
MW324.40 g/mol
LogP3.20
Rot. Bonds2

About 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

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 (PubChem CID 5769217) has the molecular formula C19H20N2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is 2-amino-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2-Amino-4-((E)-2-furan-2-yl-1-methyl-vinyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
PubChem CID5769217
Molecular FormulaC19H20N2O3
Molecular Weight324.40 g/mol
Exact Mass324.15
IUPAC Name2-amino-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
SMILESC/C(=C\C1=CC=CO1)/C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N
InChIInChI=1S/C19H20N2O3/c1-11(7-12-5-4-6-23-12)16-13(10-20)18(21)24-15-9-19(2,3)8-14(22)17(15)16/h4-7,16H,8-9,21H2,1-3H3/b11-7+
InChIKeyLXZNLIFWDLPZFL-YRNVUSSQSA-N
XLogP3.20
TPSA89.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity718

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

5-Acetyl-2-amino-4-(2-furanyl)-6-methyl-4H-pyran-3-carbonitrile
CID 540386
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-(furan-2-yl)-6-hydroxy-5,8-dioxo-7-undecyl-4H-chromene-3-carbonitrile
CID 145982009
methyl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate
CID 2951768
2-Amino-4-furan-2-yl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylic acid ethyl ester
CID 651256
tert-butyl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate
CID 2942045

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 2-amino-4-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C(=C\C1=CC=CO1)/C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N.
What is the InChIKey of 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?
The InChIKey is LXZNLIFWDLPZFL-YRNVUSSQSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-11(7-12-5-4-6-23-12)16-13(10-20)18(21)24-15-9-19(2,3)8-14(22)17(15)16/h4-7,16H,8-9,21H2,1-3H3/b11-7+.
What are the key properties of 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?
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 has a molecular weight of 324.40 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 5769217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).