3-[(3E)-6-hydroxy-3-(2-methylidene-3H-inden-1-ylidene)-2-oxofuro[2,3-f][1]benzofuran-7-yl]indol-2-one

C28H15NO5 — CID 161493937

IUPAC3-[(3E)-6-hydroxy-3-(2-methylidene-3H-inden-1-ylidene)-2-oxofuro[2,3-f][1]benzofuran-7-yl]indol-2-one
SMILESC=C1Cc2ccccc2/C1=C1/C(=O)Oc2cc3c(C4=c5ccccc5=NC4=O)c(O)oc3cc21
InChIInChI=1S/C28H15NO5/c1-13-10-14-6-2-3-7-15(14)22(13)24-17-11-21-18(12-20(17)33-27(24)31)25(28(32)34-21)23-16-8-4-5-9-19(16)29-26(23)30/h2-9,11-12,32H,1,10H2/b24-22+
InChIKeyFFVGJMNPYAYJFW-ZNTNEXAZSA-N
MW445.43 g/mol
LogP3.44
Rot. Bonds1

About 3-[(3E)-6-hydroxy-3-(2-methylidene-3H-inden-1-ylidene)-2-oxofuro[2,3-f][1]benzofuran-7-yl]indol-2-one

3-[(3E)-6-hydroxy-3-(2-methylidene-3H-inden-1-ylidene)-2-oxofuro[2,3-f][1]benzofuran-7-yl]indol-2-one (PubChem CID 161493937) has the molecular formula C28H15NO5 and a molecular weight of 445.43 g/mol. Its IUPAC name is 3-[(3E)-6-hydroxy-3-(2-methylidene-3H-inden-1-ylidene)-2-oxofuro[2,3-f][1]benzofuran-7-yl]indol-2-one.

Molecular Properties

Compound Name3-[(3E)-6-hydroxy-3-(2-methylidene-3H-inden-1-ylidene)-2-oxofuro[2,3-f][1]benzofuran-7-yl]indol-2-one
PubChem CID161493937
Molecular FormulaC28H15NO5
Molecular Weight445.43 g/mol
Exact Mass445.10
IUPAC Name3-[(3E)-6-hydroxy-3-(2-methylidene-3H-inden-1-ylidene)-2-oxofuro[2,3-f][1]benzofuran-7-yl]indol-2-one
SMILESC=C1Cc2ccccc2/C1=C1/C(=O)Oc2cc3c(C4=c5ccccc5=NC4=O)c(O)oc3cc21
InChIInChI=1S/C28H15NO5/c1-13-10-14-6-2-3-7-15(14)22(13)24-17-11-21-18(12-20(17)33-27(24)31)25(28(32)34-21)23-16-8-4-5-9-19(16)29-26(23)30/h2-9,11-12,32H,1,10H2/b24-22+
InChIKeyFFVGJMNPYAYJFW-ZNTNEXAZSA-N
XLogP3.44
TPSA89.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3E)-6-hydroxy-3-(2-methylidene-3H-inden-1-ylidene)-2-oxofuro[2,3-f][1]benzofuran-7-yl]indol-2-one?
The IUPAC name of 3-[(3E)-6-hydroxy-3-(2-methylidene-3H-inden-1-ylidene)-2-oxofuro[2,3-f][1]benzofuran-7-yl]indol-2-one (CID 161493937) is 3-[(3E)-6-hydroxy-3-(2-methylidene-3H-inden-1-ylidene)-2-oxofuro[2,3-f][1]benzofuran-7-yl]indol-2-one.
What is the SMILES notation for 3-[(3E)-6-hydroxy-3-(2-methylidene-3H-inden-1-ylidene)-2-oxofuro[2,3-f][1]benzofuran-7-yl]indol-2-one?
The canonical SMILES for 3-[(3E)-6-hydroxy-3-(2-methylidene-3H-inden-1-ylidene)-2-oxofuro[2,3-f][1]benzofuran-7-yl]indol-2-one is C=C1Cc2ccccc2/C1=C1/C(=O)Oc2cc3c(C4=c5ccccc5=NC4=O)c(O)oc3cc21.
What is the InChIKey of 3-[(3E)-6-hydroxy-3-(2-methylidene-3H-inden-1-ylidene)-2-oxofuro[2,3-f][1]benzofuran-7-yl]indol-2-one?
The InChIKey is FFVGJMNPYAYJFW-ZNTNEXAZSA-N. The full InChI is InChI=1S/C28H15NO5/c1-13-10-14-6-2-3-7-15(14)22(13)24-17-11-21-18(12-20(17)33-27(24)31)25(28(32)34-21)23-16-8-4-5-9-19(16)29-26(23)30/h2-9,11-12,32H,1,10H2/b24-22+.
What are the key properties of 3-[(3E)-6-hydroxy-3-(2-methylidene-3H-inden-1-ylidene)-2-oxofuro[2,3-f][1]benzofuran-7-yl]indol-2-one?
3-[(3E)-6-hydroxy-3-(2-methylidene-3H-inden-1-ylidene)-2-oxofuro[2,3-f][1]benzofuran-7-yl]indol-2-one has a molecular weight of 445.43 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3E)-6-hydroxy-3-(2-methylidene-3H-inden-1-ylidene)-2-oxofuro[2,3-f][1]benzofuran-7-yl]indol-2-one is sourced from PubChem (CID 161493937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).