3-phenyl-2-propan-2-ylpyrrolidine

C13H19N — CID 64689457

IUPAC3-phenyl-2-propan-2-ylpyrrolidine
SMILESCC(C)C1NCCC1c1ccccc1
InChIInChI=1S/C13H19N/c1-10(2)13-12(8-9-14-13)11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3
InChIKeySSSKJUZHKJLCDA-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.79
Rot. Bonds2

About 3-phenyl-2-propan-2-ylpyrrolidine

3-phenyl-2-propan-2-ylpyrrolidine (PubChem CID 64689457) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-phenyl-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-phenyl-2-propan-2-ylpyrrolidine
PubChem CID64689457
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name3-phenyl-2-propan-2-ylpyrrolidine
SMILESCC(C)C1NCCC1c1ccccc1
InChIInChI=1S/C13H19N/c1-10(2)13-12(8-9-14-13)11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3
InChIKeySSSKJUZHKJLCDA-UHFFFAOYSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-propan-2-ylpyrrolidine?
The IUPAC name of 3-phenyl-2-propan-2-ylpyrrolidine (CID 64689457) is 3-phenyl-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-phenyl-2-propan-2-ylpyrrolidine?
The canonical SMILES for 3-phenyl-2-propan-2-ylpyrrolidine is CC(C)C1NCCC1c1ccccc1.
What is the InChIKey of 3-phenyl-2-propan-2-ylpyrrolidine?
The InChIKey is SSSKJUZHKJLCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10(2)13-12(8-9-14-13)11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3.
What are the key properties of 3-phenyl-2-propan-2-ylpyrrolidine?
3-phenyl-2-propan-2-ylpyrrolidine has a molecular weight of 189.30 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 64689457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).