3-(4-bromophenyl)-5-methylpyrrolidin-3-ol;hydrochloride

C11H15BrClNO — CID 3051529

IUPAC3-(4-bromophenyl)-5-methylpyrrolidin-3-ol;hydrochloride
SMILESCC1CC(O)(c2ccc(Br)cc2)CN1.Cl
InChIInChI=1S/C11H14BrNO.ClH/c1-8-6-11(14,7-13-8)9-2-4-10(12)5-3-9;/h2-5,8,13-14H,6-7H2,1H3;1H
InChIKeyDYAAEFLDYFTFIU-UHFFFAOYSA-N
MW292.60 g/mol
LogP2.44
Rot. Bonds1

About 3-(4-bromophenyl)-5-methylpyrrolidin-3-ol;hydrochloride

3-(4-bromophenyl)-5-methylpyrrolidin-3-ol;hydrochloride (PubChem CID 3051529) has the molecular formula C11H15BrClNO and a molecular weight of 292.60 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-methylpyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-methylpyrrolidin-3-ol;hydrochloride
PubChem CID3051529
Molecular FormulaC11H15BrClNO
Molecular Weight292.60 g/mol
Exact Mass291.00
IUPAC Name3-(4-bromophenyl)-5-methylpyrrolidin-3-ol;hydrochloride
SMILESCC1CC(O)(c2ccc(Br)cc2)CN1.Cl
InChIInChI=1S/C11H14BrNO.ClH/c1-8-6-11(14,7-13-8)9-2-4-10(12)5-3-9;/h2-5,8,13-14H,6-7H2,1H3;1H
InChIKeyDYAAEFLDYFTFIU-UHFFFAOYSA-N
XLogP2.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.60
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-methylpyrrolidin-3-ol;hydrochloride?
The IUPAC name of 3-(4-bromophenyl)-5-methylpyrrolidin-3-ol;hydrochloride (CID 3051529) is 3-(4-bromophenyl)-5-methylpyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 3-(4-bromophenyl)-5-methylpyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 3-(4-bromophenyl)-5-methylpyrrolidin-3-ol;hydrochloride is CC1CC(O)(c2ccc(Br)cc2)CN1.Cl.
What is the InChIKey of 3-(4-bromophenyl)-5-methylpyrrolidin-3-ol;hydrochloride?
The InChIKey is DYAAEFLDYFTFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO.ClH/c1-8-6-11(14,7-13-8)9-2-4-10(12)5-3-9;/h2-5,8,13-14H,6-7H2,1H3;1H.
What are the key properties of 3-(4-bromophenyl)-5-methylpyrrolidin-3-ol;hydrochloride?
3-(4-bromophenyl)-5-methylpyrrolidin-3-ol;hydrochloride has a molecular weight of 292.60 g/mol, XLogP of 2.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-methylpyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 3051529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).