3'-(2-methoxyphenyl)-5-pyrrolidin-1-ylspiro[3,4-dihydropyrrole-2,2'-bicyclo[2.2.1]heptane]

C21H28N2O — CID 23453674

IUPAC3'-(2-methoxyphenyl)-5-pyrrolidin-1-ylspiro[3,4-dihydropyrrole-2,2'-bicyclo[2.2.1]heptane]
SMILESCOc1ccccc1C1C2CCC(C2)C12CCC(N1CCCC1)=N2
InChIInChI=1S/C21H28N2O/c1-24-18-7-3-2-6-17(18)20-15-8-9-16(14-15)21(20)11-10-19(22-21)23-12-4-5-13-23/h2-3,6-7,15-16,20H,4-5,8-14H2,1H3
InChIKeyGIIGEEDPDCUZGB-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.24
Rot. Bonds2

About 3'-(2-methoxyphenyl)-5-pyrrolidin-1-ylspiro[3,4-dihydropyrrole-2,2'-bicyclo[2.2.1]heptane]

3'-(2-methoxyphenyl)-5-pyrrolidin-1-ylspiro[3,4-dihydropyrrole-2,2'-bicyclo[2.2.1]heptane] (PubChem CID 23453674) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 3'-(2-methoxyphenyl)-5-pyrrolidin-1-ylspiro[3,4-dihydropyrrole-2,2'-bicyclo[2.2.1]heptane].

Molecular Properties

Compound Name3'-(2-methoxyphenyl)-5-pyrrolidin-1-ylspiro[3,4-dihydropyrrole-2,2'-bicyclo[2.2.1]heptane]
PubChem CID23453674
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name3'-(2-methoxyphenyl)-5-pyrrolidin-1-ylspiro[3,4-dihydropyrrole-2,2'-bicyclo[2.2.1]heptane]
SMILESCOc1ccccc1C1C2CCC(C2)C12CCC(N1CCCC1)=N2
InChIInChI=1S/C21H28N2O/c1-24-18-7-3-2-6-17(18)20-15-8-9-16(14-15)21(20)11-10-19(22-21)23-12-4-5-13-23/h2-3,6-7,15-16,20H,4-5,8-14H2,1H3
InChIKeyGIIGEEDPDCUZGB-UHFFFAOYSA-N
XLogP4.24
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3'-(2-methoxyphenyl)-5-pyrrolidin-1-ylspiro[3,4-dihydropyrrole-2,2'-bicyclo[2.2.1]heptane] 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

(7aS)-1-methyl-6-pyrrolidin-1-yl-2,3,3a,4,5,6,7,7a-octahydroindole;1,2-dimethoxybenzene;ethane
CID 171567539
1-methoxy-2-(2-methylcyclopropyl)benzene
CID 12651013
(2R)-2-(2-methoxyphenyl)oxirane
CID 27776035
2-(2-methoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 10308007
(2R)-2-(2-methoxyphenyl)-1-propan-2-ylpyrrolidine
CID 124500768
(2S)-2-(2-methoxyphenyl)-1-propan-2-ylpyrrolidine
CID 124500769
cis-(1R,2R)-2-(2-methoxyphenyl)cyclopropan-1-amine
CID 39235873
1,2-dimethoxybenzene;(6R)-1-methyl-6-piperidin-1-yl-2,3,3a,4,5,6,7,7a-octahydroindole;molecular hydrogen
CID 171567392
(2S,3R)-2-(2-methoxyphenyl)-3-phenylselanyloxane
CID 134882559
(2R,3R,6R)-3-(2-methoxyphenyl)-5-methyl-1,5-diazatricyclo[5.2.2.02,6]undecane
CID 56911529
(5S)-5-(2-methoxyphenyl)oxolan-2-one
CID 10750262
2-(2-methoxyphenyl)-4,4-dimethyl-1,3-oxazolidine
CID 82112973

Frequently Asked Questions

What is the IUPAC name of 3'-(2-methoxyphenyl)-5-pyrrolidin-1-ylspiro[3,4-dihydropyrrole-2,2'-bicyclo[2.2.1]heptane]?
The IUPAC name of 3'-(2-methoxyphenyl)-5-pyrrolidin-1-ylspiro[3,4-dihydropyrrole-2,2'-bicyclo[2.2.1]heptane] (CID 23453674) is 3'-(2-methoxyphenyl)-5-pyrrolidin-1-ylspiro[3,4-dihydropyrrole-2,2'-bicyclo[2.2.1]heptane].
What is the SMILES notation for 3'-(2-methoxyphenyl)-5-pyrrolidin-1-ylspiro[3,4-dihydropyrrole-2,2'-bicyclo[2.2.1]heptane]?
The canonical SMILES for 3'-(2-methoxyphenyl)-5-pyrrolidin-1-ylspiro[3,4-dihydropyrrole-2,2'-bicyclo[2.2.1]heptane] is COc1ccccc1C1C2CCC(C2)C12CCC(N1CCCC1)=N2.
What is the InChIKey of 3'-(2-methoxyphenyl)-5-pyrrolidin-1-ylspiro[3,4-dihydropyrrole-2,2'-bicyclo[2.2.1]heptane]?
The InChIKey is GIIGEEDPDCUZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-24-18-7-3-2-6-17(18)20-15-8-9-16(14-15)21(20)11-10-19(22-21)23-12-4-5-13-23/h2-3,6-7,15-16,20H,4-5,8-14H2,1H3.
What are the key properties of 3'-(2-methoxyphenyl)-5-pyrrolidin-1-ylspiro[3,4-dihydropyrrole-2,2'-bicyclo[2.2.1]heptane]?
3'-(2-methoxyphenyl)-5-pyrrolidin-1-ylspiro[3,4-dihydropyrrole-2,2'-bicyclo[2.2.1]heptane] has a molecular weight of 324.47 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(2-methoxyphenyl)-5-pyrrolidin-1-ylspiro[3,4-dihydropyrrole-2,2'-bicyclo[2.2.1]heptane] is sourced from PubChem (CID 23453674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).