1-methyl-3-phenylpyrrolidine

C11H15N — CID 3791681

IUPAC1-methyl-3-phenylpyrrolidine
SMILESCN1CCC(c2ccccc2)C1
InChIInChI=1S/C11H15N/c1-12-8-7-11(9-12)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKeyYDNBZEZHOYJIKQ-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.11
Rot. Bonds1

About 1-methyl-3-phenylpyrrolidine

1-methyl-3-phenylpyrrolidine (PubChem CID 3791681) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 1-methyl-3-phenylpyrrolidine.

Molecular Properties

Compound Name1-methyl-3-phenylpyrrolidine
PubChem CID3791681
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name1-methyl-3-phenylpyrrolidine
SMILESCN1CCC(c2ccccc2)C1
InChIInChI=1S/C11H15N/c1-12-8-7-11(9-12)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKeyYDNBZEZHOYJIKQ-UHFFFAOYSA-N
XLogP2.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenylpyrrolidine?
The IUPAC name of 1-methyl-3-phenylpyrrolidine (CID 3791681) is 1-methyl-3-phenylpyrrolidine.
What is the SMILES notation for 1-methyl-3-phenylpyrrolidine?
The canonical SMILES for 1-methyl-3-phenylpyrrolidine is CN1CCC(c2ccccc2)C1.
What is the InChIKey of 1-methyl-3-phenylpyrrolidine?
The InChIKey is YDNBZEZHOYJIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-12-8-7-11(9-12)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3.
What are the key properties of 1-methyl-3-phenylpyrrolidine?
1-methyl-3-phenylpyrrolidine has a molecular weight of 161.25 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenylpyrrolidine is sourced from PubChem (CID 3791681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).