7-methoxy-1,2,5-trimethyl-3-pyrrolidin-3-ylindole

C16H22N2O — CID 84637342

IUPAC7-methoxy-1,2,5-trimethyl-3-pyrrolidin-3-ylindole
SMILESCOc1cc(C)cc2c(C3CCNC3)c(C)n(C)c12
InChIInChI=1S/C16H22N2O/c1-10-7-13-15(12-5-6-17-9-12)11(2)18(3)16(13)14(8-10)19-4/h7-8,12,17H,5-6,9H2,1-4H3
InChIKeyGQXWGDDSIHYDII-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.88
Rot. Bonds2

About 7-methoxy-1,2,5-trimethyl-3-pyrrolidin-3-ylindole

7-methoxy-1,2,5-trimethyl-3-pyrrolidin-3-ylindole (PubChem CID 84637342) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 7-methoxy-1,2,5-trimethyl-3-pyrrolidin-3-ylindole.

Molecular Properties

Compound Name7-methoxy-1,2,5-trimethyl-3-pyrrolidin-3-ylindole
PubChem CID84637342
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name7-methoxy-1,2,5-trimethyl-3-pyrrolidin-3-ylindole
SMILESCOc1cc(C)cc2c(C3CCNC3)c(C)n(C)c12
InChIInChI=1S/C16H22N2O/c1-10-7-13-15(12-5-6-17-9-12)11(2)18(3)16(13)14(8-10)19-4/h7-8,12,17H,5-6,9H2,1-4H3
InChIKeyGQXWGDDSIHYDII-UHFFFAOYSA-N
XLogP2.88
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-(2-methoxy-4,6-dimethylphenyl)pyrrolidine
CID 82492093
3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine
CID 117323606
3-(2,3-difluoro-5,6-dimethoxyphenyl)pyrrolidine
CID 117359549
3-(2-chloro-3,6-dimethoxy-4-methylphenyl)pyrrolidine
CID 117392479
3-(6-bromo-2-fluoro-3,4-dimethoxyphenyl)pyrrolidine
CID 117489218
3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine
CID 117376942
3-(4-methoxy-3,5-dimethylphenyl)pyrrolidine;hydrochloride
CID 169498562
(8-methoxy-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine
CID 84742499
7-methoxy-1,5-dimethyl-2-pyrrolidin-2-ylindole
CID 84631498
3-(4-fluoro-3,5-dimethoxyphenyl)piperidine
CID 84799696
7-methoxy-2-methyl-3-pyrrolidin-3-yl-1H-indole
CID 82278186
3-(4-bromo-3-methoxy-5-methylphenyl)pyrrolidine
CID 84808965

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1,2,5-trimethyl-3-pyrrolidin-3-ylindole?
The IUPAC name of 7-methoxy-1,2,5-trimethyl-3-pyrrolidin-3-ylindole (CID 84637342) is 7-methoxy-1,2,5-trimethyl-3-pyrrolidin-3-ylindole.
What is the SMILES notation for 7-methoxy-1,2,5-trimethyl-3-pyrrolidin-3-ylindole?
The canonical SMILES for 7-methoxy-1,2,5-trimethyl-3-pyrrolidin-3-ylindole is COc1cc(C)cc2c(C3CCNC3)c(C)n(C)c12.
What is the InChIKey of 7-methoxy-1,2,5-trimethyl-3-pyrrolidin-3-ylindole?
The InChIKey is GQXWGDDSIHYDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-10-7-13-15(12-5-6-17-9-12)11(2)18(3)16(13)14(8-10)19-4/h7-8,12,17H,5-6,9H2,1-4H3.
What are the key properties of 7-methoxy-1,2,5-trimethyl-3-pyrrolidin-3-ylindole?
7-methoxy-1,2,5-trimethyl-3-pyrrolidin-3-ylindole has a molecular weight of 258.36 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1,2,5-trimethyl-3-pyrrolidin-3-ylindole is sourced from PubChem (CID 84637342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).