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

C14H12N2O3 — CID 2839606

IUPAC2-amino-4-(furan-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
SMILESN#CC1=C(N)OC2=C(C(=O)CCC2)C1c1ccoc1
InChIInChI=1S/C14H12N2O3/c15-6-9-12(8-4-5-18-7-8)13-10(17)2-1-3-11(13)19-14(9)16/h4-5,7,12H,1-3,16H2
InChIKeyIHZCJVANZPHHSU-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.09
Rot. Bonds1

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

2-amino-4-(furan-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile (PubChem CID 2839606) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-amino-4-(furan-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(furan-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
PubChem CID2839606
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name2-amino-4-(furan-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
SMILESN#CC1=C(N)OC2=C(C(=O)CCC2)C1c1ccoc1
InChIInChI=1S/C14H12N2O3/c15-6-9-12(8-4-5-18-7-8)13-10(17)2-1-3-11(13)19-14(9)16/h4-5,7,12H,1-3,16H2
InChIKeyIHZCJVANZPHHSU-UHFFFAOYSA-N
XLogP2.09
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(furan-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The IUPAC name of 2-amino-4-(furan-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile (CID 2839606) is 2-amino-4-(furan-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(furan-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(furan-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile is N#CC1=C(N)OC2=C(C(=O)CCC2)C1c1ccoc1.
What is the InChIKey of 2-amino-4-(furan-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The InChIKey is IHZCJVANZPHHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c15-6-9-12(8-4-5-18-7-8)13-10(17)2-1-3-11(13)19-14(9)16/h4-5,7,12H,1-3,16H2.
What are the key properties of 2-amino-4-(furan-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile?
2-amino-4-(furan-3-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile has a molecular weight of 256.26 g/mol, XLogP of 2.09, 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)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile is sourced from PubChem (CID 2839606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).