1'-benzyl-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine]

C19H21NO2 — CID 24781900

IUPAC1'-benzyl-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine]
SMILESCOC1OC2(CCN(Cc3ccccc3)C2)c2ccccc21
InChIInChI=1S/C19H21NO2/c1-21-18-16-9-5-6-10-17(16)19(22-18)11-12-20(14-19)13-15-7-3-2-4-8-15/h2-10,18H,11-14H2,1H3
InChIKeyUESQXYVCMWWENY-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.46
Rot. Bonds3

About 1'-benzyl-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine]

1'-benzyl-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine] (PubChem CID 24781900) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1'-benzyl-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine].

Molecular Properties

Compound Name1'-benzyl-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine]
PubChem CID24781900
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1'-benzyl-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine]
SMILESCOC1OC2(CCN(Cc3ccccc3)C2)c2ccccc21
InChIInChI=1S/C19H21NO2/c1-21-18-16-9-5-6-10-17(16)19(22-18)11-12-20(14-19)13-15-7-3-2-4-8-15/h2-10,18H,11-14H2,1H3
InChIKeyUESQXYVCMWWENY-UHFFFAOYSA-N
XLogP3.46
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1'-benzyl-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine] with MolForge

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Related Compounds

(1S,3S)-1'-butyl-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine]
CID 90870781
(1S,3S)-1'-(4-imidazol-1-ylbutyl)-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine]
CID 90898148
1'-benzyl-1-(2,2-dimethoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]
CID 10959541
1'-benzyl-3-methoxyspiro[3H-2-benzoxepine-1,4'-piperidine]
CID 11002181
1'-benzyl-3-ethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 11782688
(3S)-1-benzyl-3-(2-methoxyphenyl)pyrrolidin-3-ol
CID 129372424
(1-benzyl-3-methoxypyrrolidin-3-yl)methanol
CID 19382171
(3S)-1-benzyl-3-methylpiperidine-3-thiol
CID 97176105
1'-benzyl-5-methoxyspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 70676938
(1S,6R)-3-benzyl-1-methyl-7-oxa-3-azabicyclo[4.1.0]heptane
CID 24861877
methyl (2S,6R)-4-benzyl-4-azatricyclo[5.4.0.02,6]undeca-1(11),7,9-triene-2-carboxylate
CID 57227424
1-benzyl-3-methoxypyrrolidine-3-carbonitrile
CID 19382157

Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine]?
The IUPAC name of 1'-benzyl-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine] (CID 24781900) is 1'-benzyl-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine].
What is the SMILES notation for 1'-benzyl-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine]?
The canonical SMILES for 1'-benzyl-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine] is COC1OC2(CCN(Cc3ccccc3)C2)c2ccccc21.
What is the InChIKey of 1'-benzyl-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine]?
The InChIKey is UESQXYVCMWWENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-21-18-16-9-5-6-10-17(16)19(22-18)11-12-20(14-19)13-15-7-3-2-4-8-15/h2-10,18H,11-14H2,1H3.
What are the key properties of 1'-benzyl-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine]?
1'-benzyl-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine] has a molecular weight of 295.38 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-1-methoxyspiro[1H-2-benzofuran-3,3'-pyrrolidine] is sourced from PubChem (CID 24781900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).