(5R)-5-(bromomethyl)-3,3-dimethylpyrrolidin-2-one

C7H12BrNO — CID 124705409

IUPAC(5R)-5-(bromomethyl)-3,3-dimethylpyrrolidin-2-one
SMILESCC1(C)C[C@H](CBr)NC1=O
InChIInChI=1S/C7H12BrNO/c1-7(2)3-5(4-8)9-6(7)10/h5H,3-4H2,1-2H3,(H,9,10)/t5-/m1/s1
InChIKeyJPKDAZPSYHEHEN-RXMQYKEDSA-N
MW206.08 g/mol
LogP1.30
Rot. Bonds1

About (5R)-5-(bromomethyl)-3,3-dimethylpyrrolidin-2-one

(5R)-5-(bromomethyl)-3,3-dimethylpyrrolidin-2-one (PubChem CID 124705409) has the molecular formula C7H12BrNO and a molecular weight of 206.08 g/mol. Its IUPAC name is (5R)-5-(bromomethyl)-3,3-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(bromomethyl)-3,3-dimethylpyrrolidin-2-one
PubChem CID124705409
Molecular FormulaC7H12BrNO
Molecular Weight206.08 g/mol
Exact Mass205.01
IUPAC Name(5R)-5-(bromomethyl)-3,3-dimethylpyrrolidin-2-one
SMILESCC1(C)C[C@H](CBr)NC1=O
InChIInChI=1S/C7H12BrNO/c1-7(2)3-5(4-8)9-6(7)10/h5H,3-4H2,1-2H3,(H,9,10)/t5-/m1/s1
InChIKeyJPKDAZPSYHEHEN-RXMQYKEDSA-N
XLogP1.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.08
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-(bromomethyl)-3,3-diethylpyrrolidin-2-one
CID 125425518
3,3-dimethyl-5-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 3024932
(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylpyrrolidin-2-one
CID 91799042
3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one;ethane
CID 143764227
(5S)-3,3-difluoro-5-(2-methylpropyl)pyrrolidin-2-one
CID 162574237
(5S)-3,3-difluoro-5-(methylsulfanylmethyl)pyrrolidin-2-one
CID 174285479
3,3-difluoro-5-(2-hydroxyethyl)pyrrolidin-2-one
CID 135231042
5-amino-3,3-dimethylpiperidin-2-one
CID 131610906
5-(bromomethyl)-3-chloropyrrolidin-2-one
CID 141329357
(3S,5S)-5-(hydroxymethyl)-3-methyl-3-prop-2-enylpyrrolidin-2-one
CID 142636257
ethane;4-methylmorpholin-3-one;(5S)-3,3,5-trimethylpyrrolidin-2-one
CID 143412674
(5R)-3,3-dimethyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;(5R)-1-(2,2-dimethylpropanoyl)-3,3-dimethyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
CID 161226579

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(bromomethyl)-3,3-dimethylpyrrolidin-2-one?
The IUPAC name of (5R)-5-(bromomethyl)-3,3-dimethylpyrrolidin-2-one (CID 124705409) is (5R)-5-(bromomethyl)-3,3-dimethylpyrrolidin-2-one.
What is the SMILES notation for (5R)-5-(bromomethyl)-3,3-dimethylpyrrolidin-2-one?
The canonical SMILES for (5R)-5-(bromomethyl)-3,3-dimethylpyrrolidin-2-one is CC1(C)C[C@H](CBr)NC1=O.
What is the InChIKey of (5R)-5-(bromomethyl)-3,3-dimethylpyrrolidin-2-one?
The InChIKey is JPKDAZPSYHEHEN-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H12BrNO/c1-7(2)3-5(4-8)9-6(7)10/h5H,3-4H2,1-2H3,(H,9,10)/t5-/m1/s1.
What are the key properties of (5R)-5-(bromomethyl)-3,3-dimethylpyrrolidin-2-one?
(5R)-5-(bromomethyl)-3,3-dimethylpyrrolidin-2-one has a molecular weight of 206.08 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(bromomethyl)-3,3-dimethylpyrrolidin-2-one is sourced from PubChem (CID 124705409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).