1-(3-bromophenyl)pyrrolidine;hydrochloride

C10H13BrClN — CID 46739826

IUPAC1-(3-bromophenyl)pyrrolidine;hydrochloride
SMILESBrc1cccc(N2CCCC2)c1.Cl
InChIInChI=1S/C10H12BrN.ClH/c11-9-4-3-5-10(8-9)12-6-1-2-7-12;/h3-5,8H,1-2,6-7H2;1H
InChIKeyGYJHQYGVTRCCDK-UHFFFAOYSA-N
MW262.58 g/mol
LogP3.47
Rot. Bonds1

About 1-(3-bromophenyl)pyrrolidine;hydrochloride

1-(3-bromophenyl)pyrrolidine;hydrochloride (PubChem CID 46739826) has the molecular formula C10H13BrClN and a molecular weight of 262.58 g/mol. Its IUPAC name is 1-(3-bromophenyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name1-(3-bromophenyl)pyrrolidine;hydrochloride
PubChem CID46739826
Molecular FormulaC10H13BrClN
Molecular Weight262.58 g/mol
Exact Mass260.99
IUPAC Name1-(3-bromophenyl)pyrrolidine;hydrochloride
SMILESBrc1cccc(N2CCCC2)c1.Cl
InChIInChI=1S/C10H12BrN.ClH/c11-9-4-3-5-10(8-9)12-6-1-2-7-12;/h3-5,8H,1-2,6-7H2;1H
InChIKeyGYJHQYGVTRCCDK-UHFFFAOYSA-N
XLogP3.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.58
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)pyrrolidine;hydrochloride?
The IUPAC name of 1-(3-bromophenyl)pyrrolidine;hydrochloride (CID 46739826) is 1-(3-bromophenyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 1-(3-bromophenyl)pyrrolidine;hydrochloride?
The canonical SMILES for 1-(3-bromophenyl)pyrrolidine;hydrochloride is Brc1cccc(N2CCCC2)c1.Cl.
What is the InChIKey of 1-(3-bromophenyl)pyrrolidine;hydrochloride?
The InChIKey is GYJHQYGVTRCCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN.ClH/c11-9-4-3-5-10(8-9)12-6-1-2-7-12;/h3-5,8H,1-2,6-7H2;1H.
What are the key properties of 1-(3-bromophenyl)pyrrolidine;hydrochloride?
1-(3-bromophenyl)pyrrolidine;hydrochloride has a molecular weight of 262.58 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 46739826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).