3-[(3-bromophenyl)methylidene]pyrrolidine

C11H12BrN — CID 79880535

IUPAC3-[(3-bromophenyl)methylidene]pyrrolidine
SMILESBrc1cccc(C=C2CCNC2)c1
InChIInChI=1S/C11H12BrN/c12-11-3-1-2-9(7-11)6-10-4-5-13-8-10/h1-3,6-7,13H,4-5,8H2
InChIKeyVTYUEORMLYWWFG-UHFFFAOYSA-N
MW238.13 g/mol
LogP2.83
Rot. Bonds1

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

3-[(3-bromophenyl)methylidene]pyrrolidine (PubChem CID 79880535) has the molecular formula C11H12BrN and a molecular weight of 238.13 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methylidene]pyrrolidine.

Molecular Properties

Compound Name3-[(3-bromophenyl)methylidene]pyrrolidine
PubChem CID79880535
Molecular FormulaC11H12BrN
Molecular Weight238.13 g/mol
Exact Mass237.02
IUPAC Name3-[(3-bromophenyl)methylidene]pyrrolidine
SMILESBrc1cccc(C=C2CCNC2)c1
InChIInChI=1S/C11H12BrN/c12-11-3-1-2-9(7-11)6-10-4-5-13-8-10/h1-3,6-7,13H,4-5,8H2
InChIKeyVTYUEORMLYWWFG-UHFFFAOYSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methylidene]pyrrolidine?
The IUPAC name of 3-[(3-bromophenyl)methylidene]pyrrolidine (CID 79880535) is 3-[(3-bromophenyl)methylidene]pyrrolidine.
What is the SMILES notation for 3-[(3-bromophenyl)methylidene]pyrrolidine?
The canonical SMILES for 3-[(3-bromophenyl)methylidene]pyrrolidine is Brc1cccc(C=C2CCNC2)c1.
What is the InChIKey of 3-[(3-bromophenyl)methylidene]pyrrolidine?
The InChIKey is VTYUEORMLYWWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN/c12-11-3-1-2-9(7-11)6-10-4-5-13-8-10/h1-3,6-7,13H,4-5,8H2.
What are the key properties of 3-[(3-bromophenyl)methylidene]pyrrolidine?
3-[(3-bromophenyl)methylidene]pyrrolidine has a molecular weight of 238.13 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methylidene]pyrrolidine is sourced from PubChem (CID 79880535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).