(3R,4R)-4-(furan-2-yl)-2-imino-5-oxo-3,4-dihydropyrano[3,2-c]chromene-3-carbonitrile

C17H10N2O4 — CID 7114899

IUPAC(3R,4R)-4-(furan-2-yl)-2-imino-5-oxo-3,4-dihydropyrano[3,2-c]chromene-3-carbonitrile
SMILES[H]/N=C1\Oc2c(c(=O)oc3ccccc23)[C@H](c2ccco2)[C@@H]1C#N
InChIInChI=1S/C17H10N2O4/c18-8-10-13(12-6-3-7-21-12)14-15(23-16(10)19)9-4-1-2-5-11(9)22-17(14)20/h1-7,10,13,19H/b19-16-/t10-,13-/m0/s1
InChIKeyQJLDLTHYQGJTQG-YUIZJEFLSA-N
MW306.28 g/mol
LogP3.03
Rot. Bonds1

About (3R,4R)-4-(furan-2-yl)-2-imino-5-oxo-3,4-dihydropyrano[3,2-c]chromene-3-carbonitrile

(3R,4R)-4-(furan-2-yl)-2-imino-5-oxo-3,4-dihydropyrano[3,2-c]chromene-3-carbonitrile (PubChem CID 7114899) has the molecular formula C17H10N2O4 and a molecular weight of 306.28 g/mol. Its IUPAC name is (3R,4R)-4-(furan-2-yl)-2-imino-5-oxo-3,4-dihydropyrano[3,2-c]chromene-3-carbonitrile.

Molecular Properties

Compound Name(3R,4R)-4-(furan-2-yl)-2-imino-5-oxo-3,4-dihydropyrano[3,2-c]chromene-3-carbonitrile
PubChem CID7114899
Molecular FormulaC17H10N2O4
Molecular Weight306.28 g/mol
Exact Mass306.06
IUPAC Name(3R,4R)-4-(furan-2-yl)-2-imino-5-oxo-3,4-dihydropyrano[3,2-c]chromene-3-carbonitrile
SMILES[H]/N=C1\Oc2c(c(=O)oc3ccccc23)[C@H](c2ccco2)[C@@H]1C#N
InChIInChI=1S/C17H10N2O4/c18-8-10-13(12-6-3-7-21-12)14-15(23-16(10)19)9-4-1-2-5-11(9)22-17(14)20/h1-7,10,13,19H/b19-16-/t10-,13-/m0/s1
InChIKeyQJLDLTHYQGJTQG-YUIZJEFLSA-N
XLogP3.03
TPSA100.22 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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (3R,4R)-4-(furan-2-yl)-2-imino-5-oxo-3,4-dihydropyrano[3,2-c]chromene-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(furan-2-yl)-2-imino-5-oxo-3,4-dihydropyrano[3,2-c]chromene-3-carbonitrile?
The IUPAC name of (3R,4R)-4-(furan-2-yl)-2-imino-5-oxo-3,4-dihydropyrano[3,2-c]chromene-3-carbonitrile (CID 7114899) is (3R,4R)-4-(furan-2-yl)-2-imino-5-oxo-3,4-dihydropyrano[3,2-c]chromene-3-carbonitrile.
What is the SMILES notation for (3R,4R)-4-(furan-2-yl)-2-imino-5-oxo-3,4-dihydropyrano[3,2-c]chromene-3-carbonitrile?
The canonical SMILES for (3R,4R)-4-(furan-2-yl)-2-imino-5-oxo-3,4-dihydropyrano[3,2-c]chromene-3-carbonitrile is [H]/N=C1\Oc2c(c(=O)oc3ccccc23)[C@H](c2ccco2)[C@@H]1C#N.
What is the InChIKey of (3R,4R)-4-(furan-2-yl)-2-imino-5-oxo-3,4-dihydropyrano[3,2-c]chromene-3-carbonitrile?
The InChIKey is QJLDLTHYQGJTQG-YUIZJEFLSA-N. The full InChI is InChI=1S/C17H10N2O4/c18-8-10-13(12-6-3-7-21-12)14-15(23-16(10)19)9-4-1-2-5-11(9)22-17(14)20/h1-7,10,13,19H/b19-16-/t10-,13-/m0/s1.
What are the key properties of (3R,4R)-4-(furan-2-yl)-2-imino-5-oxo-3,4-dihydropyrano[3,2-c]chromene-3-carbonitrile?
(3R,4R)-4-(furan-2-yl)-2-imino-5-oxo-3,4-dihydropyrano[3,2-c]chromene-3-carbonitrile has a molecular weight of 306.28 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(furan-2-yl)-2-imino-5-oxo-3,4-dihydropyrano[3,2-c]chromene-3-carbonitrile is sourced from PubChem (CID 7114899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).