1-(1-phenylethyl)pyrrolidine

C12H17N — CID 3057972

IUPAC1-(1-phenylethyl)pyrrolidine
SMILESCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C12H17N/c1-11(13-9-5-6-10-13)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyUWBGXRMEQVITBS-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.84
Rot. Bonds2

About 1-(1-phenylethyl)pyrrolidine

1-(1-phenylethyl)pyrrolidine (PubChem CID 3057972) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 1-(1-phenylethyl)pyrrolidine.

Molecular Properties

Compound Name1-(1-phenylethyl)pyrrolidine
PubChem CID3057972
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name1-(1-phenylethyl)pyrrolidine
SMILESCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C12H17N/c1-11(13-9-5-6-10-13)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyUWBGXRMEQVITBS-UHFFFAOYSA-N
XLogP2.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethyl)pyrrolidine?
The IUPAC name of 1-(1-phenylethyl)pyrrolidine (CID 3057972) is 1-(1-phenylethyl)pyrrolidine.
What is the SMILES notation for 1-(1-phenylethyl)pyrrolidine?
The canonical SMILES for 1-(1-phenylethyl)pyrrolidine is CC(c1ccccc1)N1CCCC1.
What is the InChIKey of 1-(1-phenylethyl)pyrrolidine?
The InChIKey is UWBGXRMEQVITBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-11(13-9-5-6-10-13)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3.
What are the key properties of 1-(1-phenylethyl)pyrrolidine?
1-(1-phenylethyl)pyrrolidine has a molecular weight of 175.28 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethyl)pyrrolidine is sourced from PubChem (CID 3057972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).