4-(bromomethyl)-1-(3-hydroxycyclohexyl)pyrrolidin-2-one

C11H18BrNO2 — CID 168503146

IUPAC4-(bromomethyl)-1-(3-hydroxycyclohexyl)pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1C1CCCC(O)C1
InChIInChI=1S/C11H18BrNO2/c12-6-8-4-11(15)13(7-8)9-2-1-3-10(14)5-9/h8-10,14H,1-7H2
InChIKeyAUDRIUMNDXBHTG-UHFFFAOYSA-N
MW276.17 g/mol
LogP1.53
Rot. Bonds2

About 4-(bromomethyl)-1-(3-hydroxycyclohexyl)pyrrolidin-2-one

4-(bromomethyl)-1-(3-hydroxycyclohexyl)pyrrolidin-2-one (PubChem CID 168503146) has the molecular formula C11H18BrNO2 and a molecular weight of 276.17 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(3-hydroxycyclohexyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-1-(3-hydroxycyclohexyl)pyrrolidin-2-one
PubChem CID168503146
Molecular FormulaC11H18BrNO2
Molecular Weight276.17 g/mol
Exact Mass275.05
IUPAC Name4-(bromomethyl)-1-(3-hydroxycyclohexyl)pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1C1CCCC(O)C1
InChIInChI=1S/C11H18BrNO2/c12-6-8-4-11(15)13(7-8)9-2-1-3-10(14)5-9/h8-10,14H,1-7H2
InChIKeyAUDRIUMNDXBHTG-UHFFFAOYSA-N
XLogP1.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 51.53
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

4-(bromomethyl)-1-[(3R)-piperidin-3-yl]pyrrolidin-2-one
CID 168503518
4-(bromomethyl)-1-(1-ethylpiperidin-4-yl)pyrrolidin-2-one
CID 168503801
(4R)-1-cyclohexyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259368
1-[(3R)-1-benzylpiperidin-3-yl]-4-(bromomethyl)pyrrolidin-2-one
CID 168503517
(4S)-1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259346
(4R)-1-cyclopentyl-4-(methylaminomethyl)pyrrolidin-2-one
CID 26722502
1-(3-carboxycyclohexyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690108
1-[(1R,3S)-3-hydroxycyclohexyl]piperazin-2-one
CID 67085330
1-cyclohexyl-4-(methylaminomethyl)pyrrolidin-2-one
CID 83533637
(8R,9aS)-8-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 172908007
4-(hydroxymethyl)-1-piperidin-4-ylpyrrolidin-2-one
CID 168662980
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]methanesulfonamide
CID 99919595

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-(3-hydroxycyclohexyl)pyrrolidin-2-one?
The IUPAC name of 4-(bromomethyl)-1-(3-hydroxycyclohexyl)pyrrolidin-2-one (CID 168503146) is 4-(bromomethyl)-1-(3-hydroxycyclohexyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(bromomethyl)-1-(3-hydroxycyclohexyl)pyrrolidin-2-one?
The canonical SMILES for 4-(bromomethyl)-1-(3-hydroxycyclohexyl)pyrrolidin-2-one is O=C1CC(CBr)CN1C1CCCC(O)C1.
What is the InChIKey of 4-(bromomethyl)-1-(3-hydroxycyclohexyl)pyrrolidin-2-one?
The InChIKey is AUDRIUMNDXBHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO2/c12-6-8-4-11(15)13(7-8)9-2-1-3-10(14)5-9/h8-10,14H,1-7H2.
What are the key properties of 4-(bromomethyl)-1-(3-hydroxycyclohexyl)pyrrolidin-2-one?
4-(bromomethyl)-1-(3-hydroxycyclohexyl)pyrrolidin-2-one has a molecular weight of 276.17 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(3-hydroxycyclohexyl)pyrrolidin-2-one is sourced from PubChem (CID 168503146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).