(2S,3S)-4-oxo-3-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carbonitrile

C18H11NO3 — CID 102451654

IUPAC(2S,3S)-4-oxo-3-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carbonitrile
SMILESN#C[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccccc1
InChIInChI=1S/C18H11NO3/c19-10-14-15(11-6-2-1-3-7-11)16-17(21-14)12-8-4-5-9-13(12)22-18(16)20/h1-9,14-15H/t14-,15-/m1/s1
InChIKeyGHLIPAKEZPDBKA-HUUCEWRRSA-N
MW289.29 g/mol
LogP3.21
Rot. Bonds1

About (2S,3S)-4-oxo-3-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carbonitrile

(2S,3S)-4-oxo-3-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carbonitrile (PubChem CID 102451654) has the molecular formula C18H11NO3 and a molecular weight of 289.29 g/mol. Its IUPAC name is (2S,3S)-4-oxo-3-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carbonitrile.

Molecular Properties

Compound Name(2S,3S)-4-oxo-3-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carbonitrile
PubChem CID102451654
Molecular FormulaC18H11NO3
Molecular Weight289.29 g/mol
Exact Mass289.07
IUPAC Name(2S,3S)-4-oxo-3-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carbonitrile
SMILESN#C[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccccc1
InChIInChI=1S/C18H11NO3/c19-10-14-15(11-6-2-1-3-7-11)16-17(21-14)12-8-4-5-9-13(12)22-18(16)20/h1-9,14-15H/t14-,15-/m1/s1
InChIKeyGHLIPAKEZPDBKA-HUUCEWRRSA-N
XLogP3.21
TPSA63.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(7R,11aR)-7-phenyl-7a,9,10,11a-tetrahydro-7H-chromeno[3,2-c]chromene-6,8,11-trione
CID 101123904
methyl 3-(4-cyanophenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 91972986
methyl (2R,3R)-3-(4-cyanophenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 97037847
2-amino-5-oxo-4-phenyl-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 2815057
(2R,3R)-N-(4-methoxyphenyl)-4-oxo-3-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97423987
methyl (2R,3R)-4-oxo-2-phenyl-2,3-dihydrofuro[3,2-c]chromene-3-carboxylate
CID 10782063
methyl (2S,3R)-3-(4-fluorophenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 97037790
(2R,4R)-2-carbazol-9-yl-4-phenyl-3,4-dihydro-2H-pyrano[3,2-c]chromen-5-one
CID 12971729
(3R,4R)-4-(furan-2-yl)-2-imino-5-oxo-3,4-dihydropyrano[3,2-c]chromene-3-carbonitrile
CID 7114899
2-imino-4-[1-[(2-methylphenyl)methyl]pyridin-1-ium-4-yl]-5-oxo-3,4-dihydropyrano[3,2-c]chromene-3-carbonitrile
CID 91898797
ethyl (2S,3S)-3-(4-hydroxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 96544841
ethyl (3S,4R)-5-oxo-4-phenyl-3,4-dihydro-2H-pyrano[3,2-c]chromene-3-carboxylate
CID 45257855

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-4-oxo-3-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carbonitrile?
The IUPAC name of (2S,3S)-4-oxo-3-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carbonitrile (CID 102451654) is (2S,3S)-4-oxo-3-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carbonitrile.
What is the SMILES notation for (2S,3S)-4-oxo-3-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carbonitrile?
The canonical SMILES for (2S,3S)-4-oxo-3-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carbonitrile is N#C[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-4-oxo-3-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carbonitrile?
The InChIKey is GHLIPAKEZPDBKA-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H11NO3/c19-10-14-15(11-6-2-1-3-7-11)16-17(21-14)12-8-4-5-9-13(12)22-18(16)20/h1-9,14-15H/t14-,15-/m1/s1.
What are the key properties of (2S,3S)-4-oxo-3-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carbonitrile?
(2S,3S)-4-oxo-3-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carbonitrile has a molecular weight of 289.29 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-4-oxo-3-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carbonitrile is sourced from PubChem (CID 102451654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).