1-[(2-bromophenyl)methyl]pyrrolidine-3,4-diol

C11H14BrNO2 — CID 106672210

IUPAC1-[(2-bromophenyl)methyl]pyrrolidine-3,4-diol
SMILESOC1CN(Cc2ccccc2Br)CC1O
InChIInChI=1S/C11H14BrNO2/c12-9-4-2-1-3-8(9)5-13-6-10(14)11(15)7-13/h1-4,10-11,14-15H,5-7H2
InChIKeyWOAFHTCBMYPYFD-UHFFFAOYSA-N
MW272.14 g/mol
LogP0.99
Rot. Bonds2

About 1-[(2-bromophenyl)methyl]pyrrolidine-3,4-diol

1-[(2-bromophenyl)methyl]pyrrolidine-3,4-diol (PubChem CID 106672210) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]pyrrolidine-3,4-diol
PubChem CID106672210
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name1-[(2-bromophenyl)methyl]pyrrolidine-3,4-diol
SMILESOC1CN(Cc2ccccc2Br)CC1O
InChIInChI=1S/C11H14BrNO2/c12-9-4-2-1-3-8(9)5-13-6-10(14)11(15)7-13/h1-4,10-11,14-15H,5-7H2
InChIKeyWOAFHTCBMYPYFD-UHFFFAOYSA-N
XLogP0.99
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-bromophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575185
2-[2-[[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methyl]phenyl]acetic acid
CID 113314722
[(3S)-1-[(2-bromophenyl)methyl]piperidin-3-yl]methanol
CID 40514210
3-bromo-1-[(2-bromophenyl)methyl]piperidine
CID 80679518
(3S)-1-[(2-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53256252
1-[(2-bromophenyl)methyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904726
1-[(2-bromophenyl)methyl]-3-methylpiperidine
CID 60644748
(3S)-1-[(2-bromophenyl)methyl]-3-methylpiperazine
CID 95243882
(3S)-1-[(2-bromophenyl)methyl]piperidin-3-amine
CID 24904438
3-(bromomethyl)-1-[(2-bromophenyl)methyl]piperidine
CID 80679308
1-[(2-bromophenyl)methyl]-3-(2-chloroethyl)pyrrolidine
CID 114800506
1-[(2-bromophenyl)methyl]-4-cyclopentylpiperazine
CID 7026530

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[(2-bromophenyl)methyl]pyrrolidine-3,4-diol (CID 106672210) is 1-[(2-bromophenyl)methyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[(2-bromophenyl)methyl]pyrrolidine-3,4-diol is OC1CN(Cc2ccccc2Br)CC1O.
What is the InChIKey of 1-[(2-bromophenyl)methyl]pyrrolidine-3,4-diol?
The InChIKey is WOAFHTCBMYPYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c12-9-4-2-1-3-8(9)5-13-6-10(14)11(15)7-13/h1-4,10-11,14-15H,5-7H2.
What are the key properties of 1-[(2-bromophenyl)methyl]pyrrolidine-3,4-diol?
1-[(2-bromophenyl)methyl]pyrrolidine-3,4-diol has a molecular weight of 272.14 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106672210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).