3-[(3-bromophenyl)methyl]pyrrolidine

C11H14BrN — CID 77174571

IUPAC3-[(3-bromophenyl)methyl]pyrrolidine
SMILESBrc1cccc(CC2CCNC2)c1
InChIInChI=1S/C11H14BrN/c12-11-3-1-2-9(7-11)6-10-4-5-13-8-10/h1-3,7,10,13H,4-6,8H2
InChIKeyIFVYQVBUSIPOTN-UHFFFAOYSA-N
MW240.14 g/mol
LogP2.60
Rot. Bonds2

About 3-[(3-bromophenyl)methyl]pyrrolidine

3-[(3-bromophenyl)methyl]pyrrolidine (PubChem CID 77174571) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-[(3-bromophenyl)methyl]pyrrolidine
PubChem CID77174571
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name3-[(3-bromophenyl)methyl]pyrrolidine
SMILESBrc1cccc(CC2CCNC2)c1
InChIInChI=1S/C11H14BrN/c12-11-3-1-2-9(7-11)6-10-4-5-13-8-10/h1-3,7,10,13H,4-6,8H2
InChIKeyIFVYQVBUSIPOTN-UHFFFAOYSA-N
XLogP2.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methyl]pyrrolidine?
The IUPAC name of 3-[(3-bromophenyl)methyl]pyrrolidine (CID 77174571) is 3-[(3-bromophenyl)methyl]pyrrolidine.
What is the SMILES notation for 3-[(3-bromophenyl)methyl]pyrrolidine?
The canonical SMILES for 3-[(3-bromophenyl)methyl]pyrrolidine is Brc1cccc(CC2CCNC2)c1.
What is the InChIKey of 3-[(3-bromophenyl)methyl]pyrrolidine?
The InChIKey is IFVYQVBUSIPOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c12-11-3-1-2-9(7-11)6-10-4-5-13-8-10/h1-3,7,10,13H,4-6,8H2.
What are the key properties of 3-[(3-bromophenyl)methyl]pyrrolidine?
3-[(3-bromophenyl)methyl]pyrrolidine has a molecular weight of 240.14 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methyl]pyrrolidine is sourced from PubChem (CID 77174571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).