3,5-dimethyl-4-(oxan-4-yl)pyrrolidin-2-one

C11H19NO2 — CID 130855783

IUPAC3,5-dimethyl-4-(oxan-4-yl)pyrrolidin-2-one
SMILESCC1NC(=O)C(C)C1C1CCOCC1
InChIInChI=1S/C11H19NO2/c1-7-10(8(2)12-11(7)13)9-3-5-14-6-4-9/h7-10H,3-6H2,1-2H3,(H,12,13)
InChIKeyROGMUDZXHDVPDL-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.18
Rot. Bonds1

About 3,5-dimethyl-4-(oxan-4-yl)pyrrolidin-2-one

3,5-dimethyl-4-(oxan-4-yl)pyrrolidin-2-one (PubChem CID 130855783) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3,5-dimethyl-4-(oxan-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3,5-dimethyl-4-(oxan-4-yl)pyrrolidin-2-one
PubChem CID130855783
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3,5-dimethyl-4-(oxan-4-yl)pyrrolidin-2-one
SMILESCC1NC(=O)C(C)C1C1CCOCC1
InChIInChI=1S/C11H19NO2/c1-7-10(8(2)12-11(7)13)9-3-5-14-6-4-9/h7-10H,3-6H2,1-2H3,(H,12,13)
InChIKeyROGMUDZXHDVPDL-UHFFFAOYSA-N
XLogP1.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 130992567
(3R,4R,5S)-4-hydroxy-3,5-dimethylpyrrolidin-2-one
CID 11194347
(5S)-5-methyl-1,3-oxazepan-4-one
CID 89392804
3,6-dimethyl-1,4-dioxane-2,5-dione;oxirane
CID 87489456
(3R)-1-methyl-3-(oxan-4-yl)piperazine-2,5-dione
CID 129499724
3-methyl-1,4-oxazepan-5-one
CID 55298771
2-methyl-4-(oxan-4-yl)piperidine
CID 106778946
bis[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-methyl-6-(oxan-4-yl)piperidin-4-one
CID 165080055
1,3-dimethyl-4-(oxan-4-yl)imidazolidin-2-one
CID 116982982
3,3-dimethyl-4-(oxolan-3-yl)azetidin-2-one
CID 126983039
3-amino-4-methylazetidin-2-one
CID 13155286
trans-(5S,15S)-5,15-dimethyl-1,10-dioxa-4,7,13,16-tetrazacyclooctadecane-3,6,14,17-tetrone
CID 101007603

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(oxan-4-yl)pyrrolidin-2-one?
The IUPAC name of 3,5-dimethyl-4-(oxan-4-yl)pyrrolidin-2-one (CID 130855783) is 3,5-dimethyl-4-(oxan-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 3,5-dimethyl-4-(oxan-4-yl)pyrrolidin-2-one?
The canonical SMILES for 3,5-dimethyl-4-(oxan-4-yl)pyrrolidin-2-one is CC1NC(=O)C(C)C1C1CCOCC1.
What is the InChIKey of 3,5-dimethyl-4-(oxan-4-yl)pyrrolidin-2-one?
The InChIKey is ROGMUDZXHDVPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-7-10(8(2)12-11(7)13)9-3-5-14-6-4-9/h7-10H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 3,5-dimethyl-4-(oxan-4-yl)pyrrolidin-2-one?
3,5-dimethyl-4-(oxan-4-yl)pyrrolidin-2-one has a molecular weight of 197.28 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(oxan-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 130855783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).