(2R)-1-[[(1R,2R)-2-(4-bromophenyl)cyclopropyl]methyl]-2-methylpyrrolidine

C15H20BrN — CID 69230539

IUPAC(2R)-1-[[(1R,2R)-2-(4-bromophenyl)cyclopropyl]methyl]-2-methylpyrrolidine
SMILESC[C@@H]1CCCN1C[C@@H]1C[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C15H20BrN/c1-11-3-2-8-17(11)10-13-9-15(13)12-4-6-14(16)7-5-12/h4-7,11,13,15H,2-3,8-10H2,1H3/t11-,13+,15+/m1/s1
InChIKeyNMZRPOCZSZTBNJ-ZLDLUXBVSA-N
MW294.24 g/mol
LogP4.04
Rot. Bonds3

About (2R)-1-[[(1R,2R)-2-(4-bromophenyl)cyclopropyl]methyl]-2-methylpyrrolidine

(2R)-1-[[(1R,2R)-2-(4-bromophenyl)cyclopropyl]methyl]-2-methylpyrrolidine (PubChem CID 69230539) has the molecular formula C15H20BrN and a molecular weight of 294.24 g/mol. Its IUPAC name is (2R)-1-[[(1R,2R)-2-(4-bromophenyl)cyclopropyl]methyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name(2R)-1-[[(1R,2R)-2-(4-bromophenyl)cyclopropyl]methyl]-2-methylpyrrolidine
PubChem CID69230539
Molecular FormulaC15H20BrN
Molecular Weight294.24 g/mol
Exact Mass293.08
IUPAC Name(2R)-1-[[(1R,2R)-2-(4-bromophenyl)cyclopropyl]methyl]-2-methylpyrrolidine
SMILESC[C@@H]1CCCN1C[C@@H]1C[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C15H20BrN/c1-11-3-2-8-17(11)10-13-9-15(13)12-4-6-14(16)7-5-12/h4-7,11,13,15H,2-3,8-10H2,1H3/t11-,13+,15+/m1/s1
InChIKeyNMZRPOCZSZTBNJ-ZLDLUXBVSA-N
XLogP4.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(1R,2R)-2-(4-bromophenyl)cyclopropyl]methyl]-2-methylpyrrolidine?
The IUPAC name of (2R)-1-[[(1R,2R)-2-(4-bromophenyl)cyclopropyl]methyl]-2-methylpyrrolidine (CID 69230539) is (2R)-1-[[(1R,2R)-2-(4-bromophenyl)cyclopropyl]methyl]-2-methylpyrrolidine.
What is the SMILES notation for (2R)-1-[[(1R,2R)-2-(4-bromophenyl)cyclopropyl]methyl]-2-methylpyrrolidine?
The canonical SMILES for (2R)-1-[[(1R,2R)-2-(4-bromophenyl)cyclopropyl]methyl]-2-methylpyrrolidine is C[C@@H]1CCCN1C[C@@H]1C[C@H]1c1ccc(Br)cc1.
What is the InChIKey of (2R)-1-[[(1R,2R)-2-(4-bromophenyl)cyclopropyl]methyl]-2-methylpyrrolidine?
The InChIKey is NMZRPOCZSZTBNJ-ZLDLUXBVSA-N. The full InChI is InChI=1S/C15H20BrN/c1-11-3-2-8-17(11)10-13-9-15(13)12-4-6-14(16)7-5-12/h4-7,11,13,15H,2-3,8-10H2,1H3/t11-,13+,15+/m1/s1.
What are the key properties of (2R)-1-[[(1R,2R)-2-(4-bromophenyl)cyclopropyl]methyl]-2-methylpyrrolidine?
(2R)-1-[[(1R,2R)-2-(4-bromophenyl)cyclopropyl]methyl]-2-methylpyrrolidine has a molecular weight of 294.24 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(1R,2R)-2-(4-bromophenyl)cyclopropyl]methyl]-2-methylpyrrolidine is sourced from PubChem (CID 69230539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).