1'-methyl-4'-(pyrrolidin-1-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one

C23H24N2O3 — CID 143977151

IUPAC1'-methyl-4'-(pyrrolidin-1-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
SMILESCN1C(=O)C2(COc3cc4c(cc32)CCO4)c2c(CN3CCCC3)cccc21
InChIInChI=1S/C23H24N2O3/c1-24-18-6-4-5-16(13-25-8-2-3-9-25)21(18)23(22(24)26)14-28-20-12-19-15(7-10-27-19)11-17(20)23/h4-6,11-12H,2-3,7-10,13-14H2,1H3
InChIKeyIOPSIARXPYAICN-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.87
Rot. Bonds2

About 1'-methyl-4'-(pyrrolidin-1-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one

1'-methyl-4'-(pyrrolidin-1-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one (PubChem CID 143977151) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1'-methyl-4'-(pyrrolidin-1-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-methyl-4'-(pyrrolidin-1-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
PubChem CID143977151
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name1'-methyl-4'-(pyrrolidin-1-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
SMILESCN1C(=O)C2(COc3cc4c(cc32)CCO4)c2c(CN3CCCC3)cccc21
InChIInChI=1S/C23H24N2O3/c1-24-18-6-4-5-16(13-25-8-2-3-9-25)21(18)23(22(24)26)14-28-20-12-19-15(7-10-27-19)11-17(20)23/h4-6,11-12H,2-3,7-10,13-14H2,1H3
InChIKeyIOPSIARXPYAICN-UHFFFAOYSA-N
XLogP2.87
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-methyl-4'-(pyrrolidin-1-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one?
The IUPAC name of 1'-methyl-4'-(pyrrolidin-1-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one (CID 143977151) is 1'-methyl-4'-(pyrrolidin-1-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one.
What is the SMILES notation for 1'-methyl-4'-(pyrrolidin-1-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one?
The canonical SMILES for 1'-methyl-4'-(pyrrolidin-1-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one is CN1C(=O)C2(COc3cc4c(cc32)CCO4)c2c(CN3CCCC3)cccc21.
What is the InChIKey of 1'-methyl-4'-(pyrrolidin-1-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one?
The InChIKey is IOPSIARXPYAICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-24-18-6-4-5-16(13-25-8-2-3-9-25)21(18)23(22(24)26)14-28-20-12-19-15(7-10-27-19)11-17(20)23/h4-6,11-12H,2-3,7-10,13-14H2,1H3.
What are the key properties of 1'-methyl-4'-(pyrrolidin-1-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one?
1'-methyl-4'-(pyrrolidin-1-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one has a molecular weight of 376.46 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-4'-(pyrrolidin-1-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one is sourced from PubChem (CID 143977151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).