5-(4-methoxyphenyl)-2,2-dimethylpyrrolidine

C13H19NO — CID 117272286

IUPAC5-(4-methoxyphenyl)-2,2-dimethylpyrrolidine
SMILESCOc1ccc(C2CCC(C)(C)N2)cc1
InChIInChI=1S/C13H19NO/c1-13(2)9-8-12(14-13)10-4-6-11(15-3)7-5-10/h4-7,12,14H,8-9H2,1-3H3
InChIKeyYFBRKVJOHPAEJR-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.90
Rot. Bonds2

About 5-(4-methoxyphenyl)-2,2-dimethylpyrrolidine

5-(4-methoxyphenyl)-2,2-dimethylpyrrolidine (PubChem CID 117272286) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2,2-dimethylpyrrolidine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2,2-dimethylpyrrolidine
PubChem CID117272286
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name5-(4-methoxyphenyl)-2,2-dimethylpyrrolidine
SMILESCOc1ccc(C2CCC(C)(C)N2)cc1
InChIInChI=1S/C13H19NO/c1-13(2)9-8-12(14-13)10-4-6-11(15-3)7-5-10/h4-7,12,14H,8-9H2,1-3H3
InChIKeyYFBRKVJOHPAEJR-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2,2-dimethylpyrrolidine?
The IUPAC name of 5-(4-methoxyphenyl)-2,2-dimethylpyrrolidine (CID 117272286) is 5-(4-methoxyphenyl)-2,2-dimethylpyrrolidine.
What is the SMILES notation for 5-(4-methoxyphenyl)-2,2-dimethylpyrrolidine?
The canonical SMILES for 5-(4-methoxyphenyl)-2,2-dimethylpyrrolidine is COc1ccc(C2CCC(C)(C)N2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2,2-dimethylpyrrolidine?
The InChIKey is YFBRKVJOHPAEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2)9-8-12(14-13)10-4-6-11(15-3)7-5-10/h4-7,12,14H,8-9H2,1-3H3.
What are the key properties of 5-(4-methoxyphenyl)-2,2-dimethylpyrrolidine?
5-(4-methoxyphenyl)-2,2-dimethylpyrrolidine has a molecular weight of 205.30 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2,2-dimethylpyrrolidine is sourced from PubChem (CID 117272286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).