3-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-one

C11H19NO2 — CID 116525765

IUPAC3-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-one
SMILESCC1(C)CCC(CC2CCNC2=O)O1
InChIInChI=1S/C11H19NO2/c1-11(2)5-3-9(14-11)7-8-4-6-12-10(8)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyVYVGXBWDGWDKGD-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.47
Rot. Bonds2

About 3-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-one

3-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-one (PubChem CID 116525765) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-one
PubChem CID116525765
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-one
SMILESCC1(C)CCC(CC2CCNC2=O)O1
InChIInChI=1S/C11H19NO2/c1-11(2)5-3-9(14-11)7-8-4-6-12-10(8)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyVYVGXBWDGWDKGD-UHFFFAOYSA-N
XLogP1.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azepan-2-one
CID 102903087
(3S)-3-(cyclopropylmethyl)pyrrolidin-2-one
CID 129360656
3-(iodomethyl)pyrrolidin-2-one
CID 90057877
3-(aminomethyl)pyrrolidin-2-one;hydrochloride
CID 77340123
6-cyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine-2,5-dione
CID 116524642
4-[(5,5-dimethyloxolan-2-yl)methoxy]cyclohexan-1-one
CID 116521902
3-(2-aminopropyl)pyrrolidin-2-one
CID 82651299
1-[(5,5-dimethyloxolan-2-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 116524861
3-aminopyrrolidin-2-one
CID 158709416
3-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one
CID 116622773
3-[(2,6-dimethylphenyl)methyl]pyrrolidin-2-one
CID 70966416
6-cyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethylpiperazine-2,5-dione
CID 116524712

Frequently Asked Questions

What is the IUPAC name of 3-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 3-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-one (CID 116525765) is 3-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 3-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-one is CC1(C)CCC(CC2CCNC2=O)O1.
What is the InChIKey of 3-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-one?
The InChIKey is VYVGXBWDGWDKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2)5-3-9(14-11)7-8-4-6-12-10(8)13/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 3-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-one?
3-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-one has a molecular weight of 197.28 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 116525765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).