2-amino-4-(furan-3-yl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile

C17H10N2O4 — CID 2838785

IUPAC2-amino-4-(furan-3-yl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1ccoc1
InChIInChI=1S/C17H10N2O4/c18-7-11-13(9-5-6-21-8-9)14-15(23-16(11)19)10-3-1-2-4-12(10)22-17(14)20/h1-6,8,13H,19H2
InChIKeyPLQVJRYIQCTCKW-UHFFFAOYSA-N
MW306.28 g/mol
LogP2.60
Rot. Bonds1

About 2-amino-4-(furan-3-yl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile

2-amino-4-(furan-3-yl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile (PubChem CID 2838785) has the molecular formula C17H10N2O4 and a molecular weight of 306.28 g/mol. Its IUPAC name is 2-amino-4-(furan-3-yl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(furan-3-yl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
PubChem CID2838785
Molecular FormulaC17H10N2O4
Molecular Weight306.28 g/mol
Exact Mass306.06
IUPAC Name2-amino-4-(furan-3-yl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1ccoc1
InChIInChI=1S/C17H10N2O4/c18-7-11-13(9-5-6-21-8-9)14-15(23-16(11)19)10-3-1-2-4-12(10)22-17(14)20/h1-6,8,13H,19H2
InChIKeyPLQVJRYIQCTCKW-UHFFFAOYSA-N
XLogP2.60
TPSA102.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

ethyl 6-amino-5-cyano-4-(furan-2-yl)-2-phenyl-4H-pyran-3-carboxylate
CID 662548
2-amino-4-(1-methylbutyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile
CID 2881724
benzyl 2-amino-5-cyano-4-(3-furyl)-6-methyl-4H-thiopyran-3-carboxylate
CID 3239947
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-5-oxo-4-propyl-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile
CID 3154914
2-(2-Amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-6-methoxyphenyl 2-furoate
CID 565818
3-(2-Amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-YL)phenyl furan-2-carboxylate
CID 3239625
6-Amino-5-cyano-4-furan-3-yl-2-methyl-4H-pyran-3-carboxylic acid benzyl ester
CID 644533
2-Amino-7-(furan-2-yl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 2889600
2-amino-5-oxo-4-(pentan-3-yl)-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile
CID 3128148

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(furan-3-yl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile?
The IUPAC name of 2-amino-4-(furan-3-yl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile (CID 2838785) is 2-amino-4-(furan-3-yl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(furan-3-yl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(furan-3-yl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile is N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1ccoc1.
What is the InChIKey of 2-amino-4-(furan-3-yl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile?
The InChIKey is PLQVJRYIQCTCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O4/c18-7-11-13(9-5-6-21-8-9)14-15(23-16(11)19)10-3-1-2-4-12(10)22-17(14)20/h1-6,8,13H,19H2.
What are the key properties of 2-amino-4-(furan-3-yl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile?
2-amino-4-(furan-3-yl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile has a molecular weight of 306.28 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(furan-3-yl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile is sourced from PubChem (CID 2838785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).