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

C20H16N2O3 — CID 2889600

IUPAC2-amino-7-(furan-2-yl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
SMILESN#CC1=C(N)OC2=C(C(=O)CC(c3ccco3)C2)C1c1ccccc1
InChIInChI=1S/C20H16N2O3/c21-11-14-18(12-5-2-1-3-6-12)19-15(23)9-13(16-7-4-8-24-16)10-17(19)25-20(14)22/h1-8,13,18H,9-10,22H2
InChIKeyTZHOXPGRQKCHJW-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.49
Rot. Bonds2

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

2-amino-7-(furan-2-yl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile (PubChem CID 2889600) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-amino-7-(furan-2-yl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-(furan-2-yl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
PubChem CID2889600
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name2-amino-7-(furan-2-yl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
SMILESN#CC1=C(N)OC2=C(C(=O)CC(c3ccco3)C2)C1c1ccccc1
InChIInChI=1S/C20H16N2O3/c21-11-14-18(12-5-2-1-3-6-12)19-15(23)9-13(16-7-4-8-24-16)10-17(19)25-20(14)22/h1-8,13,18H,9-10,22H2
InChIKeyTZHOXPGRQKCHJW-UHFFFAOYSA-N
XLogP3.49
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(furan-2-yl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The IUPAC name of 2-amino-7-(furan-2-yl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile (CID 2889600) is 2-amino-7-(furan-2-yl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile.
What is the SMILES notation for 2-amino-7-(furan-2-yl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The canonical SMILES for 2-amino-7-(furan-2-yl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile is N#CC1=C(N)OC2=C(C(=O)CC(c3ccco3)C2)C1c1ccccc1.
What is the InChIKey of 2-amino-7-(furan-2-yl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The InChIKey is TZHOXPGRQKCHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c21-11-14-18(12-5-2-1-3-6-12)19-15(23)9-13(16-7-4-8-24-16)10-17(19)25-20(14)22/h1-8,13,18H,9-10,22H2.
What are the key properties of 2-amino-7-(furan-2-yl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile?
2-amino-7-(furan-2-yl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile has a molecular weight of 332.36 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(furan-2-yl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile is sourced from PubChem (CID 2889600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).