4-(bromomethyl)-1-[(3R)-piperidin-3-yl]pyrrolidin-2-one

C10H17BrN2O — CID 168503518

IUPAC4-(bromomethyl)-1-[(3R)-piperidin-3-yl]pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1[C@@H]1CCCNC1
InChIInChI=1S/C10H17BrN2O/c11-5-8-4-10(14)13(7-8)9-2-1-3-12-6-9/h8-9,12H,1-7H2/t8?,9-/m1/s1
InChIKeyZRALHPYWZZBZKJ-YGPZHTELSA-N
MW261.16 g/mol
LogP0.98
Rot. Bonds2

About 4-(bromomethyl)-1-[(3R)-piperidin-3-yl]pyrrolidin-2-one

4-(bromomethyl)-1-[(3R)-piperidin-3-yl]pyrrolidin-2-one (PubChem CID 168503518) has the molecular formula C10H17BrN2O and a molecular weight of 261.16 g/mol. Its IUPAC name is 4-(bromomethyl)-1-[(3R)-piperidin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-1-[(3R)-piperidin-3-yl]pyrrolidin-2-one
PubChem CID168503518
Molecular FormulaC10H17BrN2O
Molecular Weight261.16 g/mol
Exact Mass260.05
IUPAC Name4-(bromomethyl)-1-[(3R)-piperidin-3-yl]pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1[C@@H]1CCCNC1
InChIInChI=1S/C10H17BrN2O/c11-5-8-4-10(14)13(7-8)9-2-1-3-12-6-9/h8-9,12H,1-7H2/t8?,9-/m1/s1
InChIKeyZRALHPYWZZBZKJ-YGPZHTELSA-N
XLogP0.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(azepan-3-yl)-4-(azidomethyl)pyrrolidin-2-one
CID 168655718
4-(bromomethyl)-1-(3-hydroxycyclohexyl)pyrrolidin-2-one
CID 168503146
4-ethynyl-1-[(3R)-piperidin-3-yl]pyrrolidin-2-one
CID 168500194
5-methyl-1-[(3R)-piperidin-3-yl]piperidin-2-one
CID 166162657
1-(azepan-3-yl)-4-ethynylpyrrolidin-2-one
CID 168500126
S-(5-oxo-1-piperidin-3-ylpyrrolidin-3-yl) ethanethioate
CID 168704521
4-(bromomethyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one
CID 168503801
4-(hydroxymethyl)-1-piperidin-4-ylpyrrolidin-2-one
CID 168662980
4-ethyl-1-piperidin-3-ylimidazolidin-2-one
CID 116979000
1-[(3R)-1-benzylpiperidin-3-yl]-4-(bromomethyl)pyrrolidin-2-one
CID 168503517
(4R)-1-cyclohexyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259368
1-cyclopropyl-3-piperidin-3-ylimidazolidin-2-one;hydrochloride
CID 118115296

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-[(3R)-piperidin-3-yl]pyrrolidin-2-one?
The IUPAC name of 4-(bromomethyl)-1-[(3R)-piperidin-3-yl]pyrrolidin-2-one (CID 168503518) is 4-(bromomethyl)-1-[(3R)-piperidin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(bromomethyl)-1-[(3R)-piperidin-3-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(bromomethyl)-1-[(3R)-piperidin-3-yl]pyrrolidin-2-one is O=C1CC(CBr)CN1[C@@H]1CCCNC1.
What is the InChIKey of 4-(bromomethyl)-1-[(3R)-piperidin-3-yl]pyrrolidin-2-one?
The InChIKey is ZRALHPYWZZBZKJ-YGPZHTELSA-N. The full InChI is InChI=1S/C10H17BrN2O/c11-5-8-4-10(14)13(7-8)9-2-1-3-12-6-9/h8-9,12H,1-7H2/t8?,9-/m1/s1.
What are the key properties of 4-(bromomethyl)-1-[(3R)-piperidin-3-yl]pyrrolidin-2-one?
4-(bromomethyl)-1-[(3R)-piperidin-3-yl]pyrrolidin-2-one has a molecular weight of 261.16 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-[(3R)-piperidin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 168503518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).