(2Z,9S)-9-(furan-2-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C25H17NO5 — CID 124876614

IUPAC(2Z,9S)-9-(furan-2-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCn1cc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccco3)CC(=O)O4)C2=O)c2ccccc21
InChIInChI=1S/C25H17NO5/c1-26-13-14(15-5-2-3-6-18(15)26)11-21-24(28)16-8-9-20-23(25(16)31-21)17(12-22(27)30-20)19-7-4-10-29-19/h2-11,13,17H,12H2,1H3/b21-11-/t17-/m1/s1
InChIKeyGJXFAKFEDJRPRS-BYINCCNUSA-N
MW411.41 g/mol
LogP4.83
Rot. Bonds2

About (2Z,9S)-9-(furan-2-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

(2Z,9S)-9-(furan-2-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 124876614) has the molecular formula C25H17NO5 and a molecular weight of 411.41 g/mol. Its IUPAC name is (2Z,9S)-9-(furan-2-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

Compound Name(2Z,9S)-9-(furan-2-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
PubChem CID124876614
Molecular FormulaC25H17NO5
Molecular Weight411.41 g/mol
Exact Mass411.11
IUPAC Name(2Z,9S)-9-(furan-2-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCn1cc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccco3)CC(=O)O4)C2=O)c2ccccc21
InChIInChI=1S/C25H17NO5/c1-26-13-14(15-5-2-3-6-18(15)26)11-21-24(28)16-8-9-20-23(25(16)31-21)17(12-22(27)30-20)19-7-4-10-29-19/h2-11,13,17H,12H2,1H3/b21-11-/t17-/m1/s1
InChIKeyGJXFAKFEDJRPRS-BYINCCNUSA-N
XLogP4.83
TPSA70.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2Z,9R)-9-(furan-2-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124876615
9-(1,3-benzodioxol-5-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163027253
9-(3-hydroxyphenyl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163077928
(2Z,9R)-9-(2,4-dimethoxyphenyl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124879128
(2Z,9S)-2-[[2-(difluoromethoxy)phenyl]methylidene]-9-(furan-2-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125433228
2-[[2-(difluoromethoxy)phenyl]methylidene]-9-(furan-2-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 171135209
6-hydroxy-7-methyl-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one
CID 53411431
(2Z,9R)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-9-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125122631
(2Z,9R)-9-(3-hydroxy-4-methoxyphenyl)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125122614
(2Z,9S)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-9-[2-(pyridin-2-ylmethoxy)phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 125122831
2-[3-[(2Z,9S)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-3,7-dioxo-8,9-dihydrofuro[2,3-f]chromen-9-yl]phenoxy]acetamide
CID 125122743
methyl 2-[(9R,13Z)-13-[(1-methylindol-3-yl)methylidene]-14-oxo-2,12-dioxa-4-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11(15),16-hexaen-9-yl]acetate
CID 124879538

Frequently Asked Questions

What is the IUPAC name of (2Z,9S)-9-(furan-2-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The IUPAC name of (2Z,9S)-9-(furan-2-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 124876614) is (2Z,9S)-9-(furan-2-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.
What is the SMILES notation for (2Z,9S)-9-(furan-2-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The canonical SMILES for (2Z,9S)-9-(furan-2-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is Cn1cc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccco3)CC(=O)O4)C2=O)c2ccccc21.
What is the InChIKey of (2Z,9S)-9-(furan-2-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The InChIKey is GJXFAKFEDJRPRS-BYINCCNUSA-N. The full InChI is InChI=1S/C25H17NO5/c1-26-13-14(15-5-2-3-6-18(15)26)11-21-24(28)16-8-9-20-23(25(16)31-21)17(12-22(27)30-20)19-7-4-10-29-19/h2-11,13,17H,12H2,1H3/b21-11-/t17-/m1/s1.
What are the key properties of (2Z,9S)-9-(furan-2-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
(2Z,9S)-9-(furan-2-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 411.41 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,9S)-9-(furan-2-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 124876614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).