(2Z,9R)-2-benzylidene-9-pyridin-4-yl-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C23H15NO4 — CID 124878656

IUPAC(2Z,9R)-2-benzylidene-9-pyridin-4-yl-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESO=C1C[C@H](c2ccncc2)c2c(ccc3c2O/C(=C\c2ccccc2)C3=O)O1
InChIInChI=1S/C23H15NO4/c25-20-13-17(15-8-10-24-11-9-15)21-18(27-20)7-6-16-22(26)19(28-23(16)21)12-14-4-2-1-3-5-14/h1-12,17H,13H2/b19-12-/t17-/m1/s1
InChIKeyLXUKJVOSOADEGN-UEXNTNOUSA-N
MW369.38 g/mol
LogP4.14
Rot. Bonds2

About (2Z,9R)-2-benzylidene-9-pyridin-4-yl-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

(2Z,9R)-2-benzylidene-9-pyridin-4-yl-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 124878656) has the molecular formula C23H15NO4 and a molecular weight of 369.38 g/mol. Its IUPAC name is (2Z,9R)-2-benzylidene-9-pyridin-4-yl-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

Compound Name(2Z,9R)-2-benzylidene-9-pyridin-4-yl-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
PubChem CID124878656
Molecular FormulaC23H15NO4
Molecular Weight369.38 g/mol
Exact Mass369.10
IUPAC Name(2Z,9R)-2-benzylidene-9-pyridin-4-yl-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESO=C1C[C@H](c2ccncc2)c2c(ccc3c2O/C(=C\c2ccccc2)C3=O)O1
InChIInChI=1S/C23H15NO4/c25-20-13-17(15-8-10-24-11-9-15)21-18(27-20)7-6-16-22(26)19(28-23(16)21)12-14-4-2-1-3-5-14/h1-12,17H,13H2/b19-12-/t17-/m1/s1
InChIKeyLXUKJVOSOADEGN-UEXNTNOUSA-N
XLogP4.14
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,9R)-2-benzylidene-9-pyridin-4-yl-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The IUPAC name of (2Z,9R)-2-benzylidene-9-pyridin-4-yl-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 124878656) is (2Z,9R)-2-benzylidene-9-pyridin-4-yl-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.
What is the SMILES notation for (2Z,9R)-2-benzylidene-9-pyridin-4-yl-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The canonical SMILES for (2Z,9R)-2-benzylidene-9-pyridin-4-yl-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is O=C1C[C@H](c2ccncc2)c2c(ccc3c2O/C(=C\c2ccccc2)C3=O)O1.
What is the InChIKey of (2Z,9R)-2-benzylidene-9-pyridin-4-yl-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The InChIKey is LXUKJVOSOADEGN-UEXNTNOUSA-N. The full InChI is InChI=1S/C23H15NO4/c25-20-13-17(15-8-10-24-11-9-15)21-18(27-20)7-6-16-22(26)19(28-23(16)21)12-14-4-2-1-3-5-14/h1-12,17H,13H2/b19-12-/t17-/m1/s1.
What are the key properties of (2Z,9R)-2-benzylidene-9-pyridin-4-yl-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
(2Z,9R)-2-benzylidene-9-pyridin-4-yl-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 369.38 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,9R)-2-benzylidene-9-pyridin-4-yl-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 124878656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).