4-methyl-2-phenylpyrrolidine

C11H15N — CID 4021013

IUPAC4-methyl-2-phenylpyrrolidine
SMILESCC1CNC(c2ccccc2)C1
InChIInChI=1S/C11H15N/c1-9-7-11(12-8-9)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3
InChIKeyOVCVERGEPCICMG-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.36
Rot. Bonds1

About 4-methyl-2-phenylpyrrolidine

4-methyl-2-phenylpyrrolidine (PubChem CID 4021013) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 4-methyl-2-phenylpyrrolidine.

Molecular Properties

Compound Name4-methyl-2-phenylpyrrolidine
PubChem CID4021013
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name4-methyl-2-phenylpyrrolidine
SMILESCC1CNC(c2ccccc2)C1
InChIInChI=1S/C11H15N/c1-9-7-11(12-8-9)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3
InChIKeyOVCVERGEPCICMG-UHFFFAOYSA-N
XLogP2.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenylpyrrolidine?
The IUPAC name of 4-methyl-2-phenylpyrrolidine (CID 4021013) is 4-methyl-2-phenylpyrrolidine.
What is the SMILES notation for 4-methyl-2-phenylpyrrolidine?
The canonical SMILES for 4-methyl-2-phenylpyrrolidine is CC1CNC(c2ccccc2)C1.
What is the InChIKey of 4-methyl-2-phenylpyrrolidine?
The InChIKey is OVCVERGEPCICMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-9-7-11(12-8-9)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3.
What are the key properties of 4-methyl-2-phenylpyrrolidine?
4-methyl-2-phenylpyrrolidine has a molecular weight of 161.25 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenylpyrrolidine is sourced from PubChem (CID 4021013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).