(2Z)-2-benzylidene-1',6,6-trimethylspiro[5,7-dihydro-1-benzofuran-3,3'-indole]-2',4-dione

C25H23NO3 — CID 132532786

IUPAC(2Z)-2-benzylidene-1',6,6-trimethylspiro[5,7-dihydro-1-benzofuran-3,3'-indole]-2',4-dione
SMILESCN1C(=O)C2(C3=C(CC(C)(C)CC3=O)O/C2=C\c2ccccc2)c2ccccc21
InChIInChI=1S/C25H23NO3/c1-24(2)14-19(27)22-20(15-24)29-21(13-16-9-5-4-6-10-16)25(22)17-11-7-8-12-18(17)26(3)23(25)28/h4-13H,14-15H2,1-3H3/b21-13-
InChIKeyNNABJKCJQCAUFV-BKUYFWCQSA-N
MW385.46 g/mol
LogP4.62
Rot. Bonds1

About (2Z)-2-benzylidene-1',6,6-trimethylspiro[5,7-dihydro-1-benzofuran-3,3'-indole]-2',4-dione

(2Z)-2-benzylidene-1',6,6-trimethylspiro[5,7-dihydro-1-benzofuran-3,3'-indole]-2',4-dione (PubChem CID 132532786) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is (2Z)-2-benzylidene-1',6,6-trimethylspiro[5,7-dihydro-1-benzofuran-3,3'-indole]-2',4-dione.

Molecular Properties

Compound Name(2Z)-2-benzylidene-1',6,6-trimethylspiro[5,7-dihydro-1-benzofuran-3,3'-indole]-2',4-dione
PubChem CID132532786
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name(2Z)-2-benzylidene-1',6,6-trimethylspiro[5,7-dihydro-1-benzofuran-3,3'-indole]-2',4-dione
SMILESCN1C(=O)C2(C3=C(CC(C)(C)CC3=O)O/C2=C\c2ccccc2)c2ccccc21
InChIInChI=1S/C25H23NO3/c1-24(2)14-19(27)22-20(15-24)29-21(13-16-9-5-4-6-10-16)25(22)17-11-7-8-12-18(17)26(3)23(25)28/h4-13H,14-15H2,1-3H3/b21-13-
InChIKeyNNABJKCJQCAUFV-BKUYFWCQSA-N
XLogP4.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-benzylidene-1',6,6-trimethylspiro[5,7-dihydro-1-benzofuran-3,3'-indole]-2',4-dione?
The IUPAC name of (2Z)-2-benzylidene-1',6,6-trimethylspiro[5,7-dihydro-1-benzofuran-3,3'-indole]-2',4-dione (CID 132532786) is (2Z)-2-benzylidene-1',6,6-trimethylspiro[5,7-dihydro-1-benzofuran-3,3'-indole]-2',4-dione.
What is the SMILES notation for (2Z)-2-benzylidene-1',6,6-trimethylspiro[5,7-dihydro-1-benzofuran-3,3'-indole]-2',4-dione?
The canonical SMILES for (2Z)-2-benzylidene-1',6,6-trimethylspiro[5,7-dihydro-1-benzofuran-3,3'-indole]-2',4-dione is CN1C(=O)C2(C3=C(CC(C)(C)CC3=O)O/C2=C\c2ccccc2)c2ccccc21.
What is the InChIKey of (2Z)-2-benzylidene-1',6,6-trimethylspiro[5,7-dihydro-1-benzofuran-3,3'-indole]-2',4-dione?
The InChIKey is NNABJKCJQCAUFV-BKUYFWCQSA-N. The full InChI is InChI=1S/C25H23NO3/c1-24(2)14-19(27)22-20(15-24)29-21(13-16-9-5-4-6-10-16)25(22)17-11-7-8-12-18(17)26(3)23(25)28/h4-13H,14-15H2,1-3H3/b21-13-.
What are the key properties of (2Z)-2-benzylidene-1',6,6-trimethylspiro[5,7-dihydro-1-benzofuran-3,3'-indole]-2',4-dione?
(2Z)-2-benzylidene-1',6,6-trimethylspiro[5,7-dihydro-1-benzofuran-3,3'-indole]-2',4-dione has a molecular weight of 385.46 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-benzylidene-1',6,6-trimethylspiro[5,7-dihydro-1-benzofuran-3,3'-indole]-2',4-dione is sourced from PubChem (CID 132532786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).