3-methyl-3-phenylpyrrolidine

C11H15N — CID 21098616

IUPAC3-methyl-3-phenylpyrrolidine
SMILESCC1(c2ccccc2)CCNC1
InChIInChI=1S/C11H15N/c1-11(7-8-12-9-11)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
InChIKeyFITWJEPAVCOKSH-UHFFFAOYSA-N
MW161.25 g/mol
LogP1.94
Rot. Bonds1

About 3-methyl-3-phenylpyrrolidine

3-methyl-3-phenylpyrrolidine (PubChem CID 21098616) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 3-methyl-3-phenylpyrrolidine.

Molecular Properties

Compound Name3-methyl-3-phenylpyrrolidine
PubChem CID21098616
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name3-methyl-3-phenylpyrrolidine
SMILESCC1(c2ccccc2)CCNC1
InChIInChI=1S/C11H15N/c1-11(7-8-12-9-11)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
InChIKeyFITWJEPAVCOKSH-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenylpyrrolidine?
The IUPAC name of 3-methyl-3-phenylpyrrolidine (CID 21098616) is 3-methyl-3-phenylpyrrolidine.
What is the SMILES notation for 3-methyl-3-phenylpyrrolidine?
The canonical SMILES for 3-methyl-3-phenylpyrrolidine is CC1(c2ccccc2)CCNC1.
What is the InChIKey of 3-methyl-3-phenylpyrrolidine?
The InChIKey is FITWJEPAVCOKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-11(7-8-12-9-11)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3.
What are the key properties of 3-methyl-3-phenylpyrrolidine?
3-methyl-3-phenylpyrrolidine has a molecular weight of 161.25 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenylpyrrolidine is sourced from PubChem (CID 21098616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).