(2S)-1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine

C15H20BrN — CID 67057635

IUPAC(2S)-1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine
SMILESC[C@H]1CCCN1C1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C15H20BrN/c1-11-3-2-8-17(11)15-9-13(10-15)12-4-6-14(16)7-5-12/h4-7,11,13,15H,2-3,8-10H2,1H3/t11-,13?,15?/m0/s1
InChIKeyAYSPWMDLXDOPOE-ZOODHJKOSA-N
MW294.24 g/mol
LogP4.18
Rot. Bonds2

About (2S)-1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine

(2S)-1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine (PubChem CID 67057635) has the molecular formula C15H20BrN and a molecular weight of 294.24 g/mol. Its IUPAC name is (2S)-1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name(2S)-1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine
PubChem CID67057635
Molecular FormulaC15H20BrN
Molecular Weight294.24 g/mol
Exact Mass293.08
IUPAC Name(2S)-1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine
SMILESC[C@H]1CCCN1C1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C15H20BrN/c1-11-3-2-8-17(11)15-9-13(10-15)12-4-6-14(16)7-5-12/h4-7,11,13,15H,2-3,8-10H2,1H3/t11-,13?,15?/m0/s1
InChIKeyAYSPWMDLXDOPOE-ZOODHJKOSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine?
The IUPAC name of (2S)-1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine (CID 67057635) is (2S)-1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine.
What is the SMILES notation for (2S)-1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine?
The canonical SMILES for (2S)-1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine is C[C@H]1CCCN1C1CC(c2ccc(Br)cc2)C1.
What is the InChIKey of (2S)-1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine?
The InChIKey is AYSPWMDLXDOPOE-ZOODHJKOSA-N. The full InChI is InChI=1S/C15H20BrN/c1-11-3-2-8-17(11)15-9-13(10-15)12-4-6-14(16)7-5-12/h4-7,11,13,15H,2-3,8-10H2,1H3/t11-,13?,15?/m0/s1.
What are the key properties of (2S)-1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine?
(2S)-1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine has a molecular weight of 294.24 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine is sourced from PubChem (CID 67057635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).