1-(1-phenylpropyl)pyrrolidine

C13H19N — CID 3057963

IUPAC1-(1-phenylpropyl)pyrrolidine
SMILESCCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C13H19N/c1-2-13(14-10-6-7-11-14)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3
InChIKeyCNCVMCNGUPWUSW-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.23
Rot. Bonds3

About 1-(1-phenylpropyl)pyrrolidine

1-(1-phenylpropyl)pyrrolidine (PubChem CID 3057963) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-(1-phenylpropyl)pyrrolidine.

Molecular Properties

Compound Name1-(1-phenylpropyl)pyrrolidine
PubChem CID3057963
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-(1-phenylpropyl)pyrrolidine
SMILESCCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C13H19N/c1-2-13(14-10-6-7-11-14)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3
InChIKeyCNCVMCNGUPWUSW-UHFFFAOYSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpropyl)pyrrolidine?
The IUPAC name of 1-(1-phenylpropyl)pyrrolidine (CID 3057963) is 1-(1-phenylpropyl)pyrrolidine.
What is the SMILES notation for 1-(1-phenylpropyl)pyrrolidine?
The canonical SMILES for 1-(1-phenylpropyl)pyrrolidine is CCC(c1ccccc1)N1CCCC1.
What is the InChIKey of 1-(1-phenylpropyl)pyrrolidine?
The InChIKey is CNCVMCNGUPWUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-2-13(14-10-6-7-11-14)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3.
What are the key properties of 1-(1-phenylpropyl)pyrrolidine?
1-(1-phenylpropyl)pyrrolidine has a molecular weight of 189.30 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpropyl)pyrrolidine is sourced from PubChem (CID 3057963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).