(3R)-1-chloro-3-(2-phenylethyl)pyrrolidine

C12H16ClN — CID 89099207

IUPAC(3R)-1-chloro-3-(2-phenylethyl)pyrrolidine
SMILESClN1CC[C@@H](CCc2ccccc2)C1
InChIInChI=1S/C12H16ClN/c13-14-9-8-12(10-14)7-6-11-4-2-1-3-5-11/h1-5,12H,6-10H2/t12-/m1/s1
InChIKeyLZJBXJBWYOSPBN-GFCCVEGCSA-N
MW209.72 g/mol
LogP3.09
Rot. Bonds3

About (3R)-1-chloro-3-(2-phenylethyl)pyrrolidine

(3R)-1-chloro-3-(2-phenylethyl)pyrrolidine (PubChem CID 89099207) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is (3R)-1-chloro-3-(2-phenylethyl)pyrrolidine.

Molecular Properties

Compound Name(3R)-1-chloro-3-(2-phenylethyl)pyrrolidine
PubChem CID89099207
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name(3R)-1-chloro-3-(2-phenylethyl)pyrrolidine
SMILESClN1CC[C@@H](CCc2ccccc2)C1
InChIInChI=1S/C12H16ClN/c13-14-9-8-12(10-14)7-6-11-4-2-1-3-5-11/h1-5,12H,6-10H2/t12-/m1/s1
InChIKeyLZJBXJBWYOSPBN-GFCCVEGCSA-N
XLogP3.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-chloro-3-(2-phenylethyl)pyrrolidine?
The IUPAC name of (3R)-1-chloro-3-(2-phenylethyl)pyrrolidine (CID 89099207) is (3R)-1-chloro-3-(2-phenylethyl)pyrrolidine.
What is the SMILES notation for (3R)-1-chloro-3-(2-phenylethyl)pyrrolidine?
The canonical SMILES for (3R)-1-chloro-3-(2-phenylethyl)pyrrolidine is ClN1CC[C@@H](CCc2ccccc2)C1.
What is the InChIKey of (3R)-1-chloro-3-(2-phenylethyl)pyrrolidine?
The InChIKey is LZJBXJBWYOSPBN-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16ClN/c13-14-9-8-12(10-14)7-6-11-4-2-1-3-5-11/h1-5,12H,6-10H2/t12-/m1/s1.
What are the key properties of (3R)-1-chloro-3-(2-phenylethyl)pyrrolidine?
(3R)-1-chloro-3-(2-phenylethyl)pyrrolidine has a molecular weight of 209.72 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-chloro-3-(2-phenylethyl)pyrrolidine is sourced from PubChem (CID 89099207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).