3-bromo-1-(2,5-dimethyloxolan-3-yl)piperidin-2-one

C11H18BrNO2 — CID 130992749

IUPAC3-bromo-1-(2,5-dimethyloxolan-3-yl)piperidin-2-one
SMILESCC1CC(N2CCCC(Br)C2=O)C(C)O1
InChIInChI=1S/C11H18BrNO2/c1-7-6-10(8(2)15-7)13-5-3-4-9(12)11(13)14/h7-10H,3-6H2,1-2H3
InChIKeyVVOWQWFNBFBFKB-UHFFFAOYSA-N
MW276.17 g/mol
LogP1.94
Rot. Bonds1

About 3-bromo-1-(2,5-dimethyloxolan-3-yl)piperidin-2-one

3-bromo-1-(2,5-dimethyloxolan-3-yl)piperidin-2-one (PubChem CID 130992749) has the molecular formula C11H18BrNO2 and a molecular weight of 276.17 g/mol. Its IUPAC name is 3-bromo-1-(2,5-dimethyloxolan-3-yl)piperidin-2-one.

Molecular Properties

Compound Name3-bromo-1-(2,5-dimethyloxolan-3-yl)piperidin-2-one
PubChem CID130992749
Molecular FormulaC11H18BrNO2
Molecular Weight276.17 g/mol
Exact Mass275.05
IUPAC Name3-bromo-1-(2,5-dimethyloxolan-3-yl)piperidin-2-one
SMILESCC1CC(N2CCCC(Br)C2=O)C(C)O1
InChIInChI=1S/C11H18BrNO2/c1-7-6-10(8(2)15-7)13-5-3-4-9(12)11(13)14/h7-10H,3-6H2,1-2H3
InChIKeyVVOWQWFNBFBFKB-UHFFFAOYSA-N
XLogP1.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-1-(2,2,3,3-tetramethylcyclopropyl)piperidin-2-one
CID 79350617
3-bromo-1-(3,3-dimethylcyclopentyl)piperidin-2-one
CID 114541337
3-bromo-1-(2,2-dimethylcyclohexyl)piperidin-2-one
CID 79877891
3-bromo-1-cyclobutylpyrrolidin-2-one
CID 63788586
(3S)-3-bromo-1-cyclohexylpyrrolidin-2-one
CID 124508773
3-bromo-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidin-2-one
CID 65472628
1-(2,5-dimethyloxolan-3-yl)-3-methylpiperidin-4-one
CID 130964873
(1R,2R,8S)-1-hydroxy-2-methyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 15704323
(3S)-3-bromo-1-propan-2-ylpiperidin-2-one
CID 95354937
3-bromo-1-(oxan-4-yl)pyrrolidin-2-one
CID 63788054
3-bromo-1-(1-cyclopropylpropyl)piperidin-2-one
CID 130729607
3-bromo-1-(2-methylprop-2-enyl)piperidin-2-one
CID 114619151

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2,5-dimethyloxolan-3-yl)piperidin-2-one?
The IUPAC name of 3-bromo-1-(2,5-dimethyloxolan-3-yl)piperidin-2-one (CID 130992749) is 3-bromo-1-(2,5-dimethyloxolan-3-yl)piperidin-2-one.
What is the SMILES notation for 3-bromo-1-(2,5-dimethyloxolan-3-yl)piperidin-2-one?
The canonical SMILES for 3-bromo-1-(2,5-dimethyloxolan-3-yl)piperidin-2-one is CC1CC(N2CCCC(Br)C2=O)C(C)O1.
What is the InChIKey of 3-bromo-1-(2,5-dimethyloxolan-3-yl)piperidin-2-one?
The InChIKey is VVOWQWFNBFBFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO2/c1-7-6-10(8(2)15-7)13-5-3-4-9(12)11(13)14/h7-10H,3-6H2,1-2H3.
What are the key properties of 3-bromo-1-(2,5-dimethyloxolan-3-yl)piperidin-2-one?
3-bromo-1-(2,5-dimethyloxolan-3-yl)piperidin-2-one has a molecular weight of 276.17 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2,5-dimethyloxolan-3-yl)piperidin-2-one is sourced from PubChem (CID 130992749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).