2-amino-4-(furan-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile

C16H16N2O3 — CID 2839408

IUPAC2-amino-4-(furan-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
SMILESCC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1ccoc1
InChIInChI=1S/C16H16N2O3/c1-16(2)5-11(19)14-12(6-16)21-15(18)10(7-17)13(14)9-3-4-20-8-9/h3-4,8,13H,5-6,18H2,1-2H3
InChIKeyFXXBEJGSMJARDD-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.73
Rot. Bonds1

About 2-amino-4-(furan-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile

2-amino-4-(furan-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile (PubChem CID 2839408) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-amino-4-(furan-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(furan-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
PubChem CID2839408
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name2-amino-4-(furan-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
SMILESCC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1ccoc1
InChIInChI=1S/C16H16N2O3/c1-16(2)5-11(19)14-12(6-16)21-15(18)10(7-17)13(14)9-3-4-20-8-9/h3-4,8,13H,5-6,18H2,1-2H3
InChIKeyFXXBEJGSMJARDD-UHFFFAOYSA-N
XLogP2.73
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Acetyl-2-amino-4-(2-furanyl)-6-methyl-4H-pyran-3-carbonitrile
CID 540386
(4aS,8aS)-3-ethyl-2-(furan-3-ylmethyl)-5,5,8a-trimethyl-4a,6,7,8-tetrahydro-4H-naphthalen-1-one
CID 16129400
prop-2-en-1-yl 6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate
CID 658222
ethyl 6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate
CID 2838740
Cambridge id 5278572
CID 2839149
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-(2-furyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 2839597
2-amino-4-(3-furyl)-8-(3-furylmethylene)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 5771425
2-amino-7,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 3112861
ethyl 2-amino-4-(furan-3-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
CID 644439
methyl 2-amino-4-(furan-3-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
CID 652661
2-Amino-7-(furan-2-yl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 2889600

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(furan-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile?
The IUPAC name of 2-amino-4-(furan-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile (CID 2839408) is 2-amino-4-(furan-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(furan-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(furan-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile is CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1ccoc1.
What is the InChIKey of 2-amino-4-(furan-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile?
The InChIKey is FXXBEJGSMJARDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-16(2)5-11(19)14-12(6-16)21-15(18)10(7-17)13(14)9-3-4-20-8-9/h3-4,8,13H,5-6,18H2,1-2H3.
What are the key properties of 2-amino-4-(furan-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile?
2-amino-4-(furan-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile has a molecular weight of 284.31 g/mol, XLogP of 2.73, 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-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile is sourced from PubChem (CID 2839408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).