1'-methylspiro[2-benzofuran-3,3'-indole]-1,2'-dione

C16H11NO3 — CID 177386662

IUPAC1'-methylspiro[2-benzofuran-3,3'-indole]-1,2'-dione
SMILESCN1C(=O)C2(OC(=O)c3ccccc32)c2ccccc21
InChIInChI=1S/C16H11NO3/c1-17-13-9-5-4-8-12(13)16(15(17)19)11-7-3-2-6-10(11)14(18)20-16/h2-9H,1H3
InChIKeyVTVUIBZHFUFUFU-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.08
Rot. Bonds

About 1'-methylspiro[2-benzofuran-3,3'-indole]-1,2'-dione

1'-methylspiro[2-benzofuran-3,3'-indole]-1,2'-dione (PubChem CID 177386662) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1'-methylspiro[2-benzofuran-3,3'-indole]-1,2'-dione.

Molecular Properties

Compound Name1'-methylspiro[2-benzofuran-3,3'-indole]-1,2'-dione
PubChem CID177386662
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name1'-methylspiro[2-benzofuran-3,3'-indole]-1,2'-dione
SMILESCN1C(=O)C2(OC(=O)c3ccccc32)c2ccccc21
InChIInChI=1S/C16H11NO3/c1-17-13-9-5-4-8-12(13)16(15(17)19)11-7-3-2-6-10(11)14(18)20-16/h2-9H,1H3
InChIKeyVTVUIBZHFUFUFU-UHFFFAOYSA-N
XLogP2.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1'-methylspiro[2-benzofuran-3,3'-indole]-1,2'-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073
1,3',3'-trimethylspiro[indole-3,2'-oxirane]-2-one
CID 102309588
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
CID 175876286
CID 175876286
1,4,4-trimethyl-3,1-benzoxazin-2-one
CID 30633
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
3,3-bis[2-(dimethylamino)phenyl]-2-benzofuran-1-one
CID 21244010
11-hydroxy-5,11-dimethylbenzo[c][1]benzazepin-6-one
CID 14203513
(3S)-1-methyl-3-[(3S)-1-methyl-2-oxo-3-prop-2-enylindol-3-yl]-3-prop-2-enylindol-2-one
CID 102235966
(1E,3E)-1,3-bis(1,3,3-trimethylindol-2-ylidene)inden-2-one
CID 143781851
(3S)-1,3-dimethyl-3-phenylsulfanylindol-2-one
CID 139037177
3-ethyl-1,3-dimethylindol-2-one
CID 14449303

Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[2-benzofuran-3,3'-indole]-1,2'-dione?
The IUPAC name of 1'-methylspiro[2-benzofuran-3,3'-indole]-1,2'-dione (CID 177386662) is 1'-methylspiro[2-benzofuran-3,3'-indole]-1,2'-dione.
What is the SMILES notation for 1'-methylspiro[2-benzofuran-3,3'-indole]-1,2'-dione?
The canonical SMILES for 1'-methylspiro[2-benzofuran-3,3'-indole]-1,2'-dione is CN1C(=O)C2(OC(=O)c3ccccc32)c2ccccc21.
What is the InChIKey of 1'-methylspiro[2-benzofuran-3,3'-indole]-1,2'-dione?
The InChIKey is VTVUIBZHFUFUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c1-17-13-9-5-4-8-12(13)16(15(17)19)11-7-3-2-6-10(11)14(18)20-16/h2-9H,1H3.
What are the key properties of 1'-methylspiro[2-benzofuran-3,3'-indole]-1,2'-dione?
1'-methylspiro[2-benzofuran-3,3'-indole]-1,2'-dione has a molecular weight of 265.27 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[2-benzofuran-3,3'-indole]-1,2'-dione is sourced from PubChem (CID 177386662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).