2-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine

C15H21NO — CID 117335007

IUPAC2-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine
SMILESC=C(C)COc1ccc(C2(C)CCCN2)cc1
InChIInChI=1S/C15H21NO/c1-12(2)11-17-14-7-5-13(6-8-14)15(3)9-4-10-16-15/h5-8,16H,1,4,9-11H2,2-3H3
InChIKeyWEIIELXTFBKUPG-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.24
Rot. Bonds4

About 2-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine

2-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine (PubChem CID 117335007) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine.

Molecular Properties

Compound Name2-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine
PubChem CID117335007
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine
SMILESC=C(C)COc1ccc(C2(C)CCCN2)cc1
InChIInChI=1S/C15H21NO/c1-12(2)11-17-14-7-5-13(6-8-14)15(3)9-4-10-16-15/h5-8,16H,1,4,9-11H2,2-3H3
InChIKeyWEIIELXTFBKUPG-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine?
The IUPAC name of 2-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine (CID 117335007) is 2-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine.
What is the SMILES notation for 2-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine?
The canonical SMILES for 2-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine is C=C(C)COc1ccc(C2(C)CCCN2)cc1.
What is the InChIKey of 2-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine?
The InChIKey is WEIIELXTFBKUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12(2)11-17-14-7-5-13(6-8-14)15(3)9-4-10-16-15/h5-8,16H,1,4,9-11H2,2-3H3.
What are the key properties of 2-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine?
2-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine has a molecular weight of 231.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(2-methylprop-2-enoxy)phenyl]pyrrolidine is sourced from PubChem (CID 117335007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).