(3,3-dimethylpyrrolidin-1-yl)-[(3S)-oxolan-3-yl]methanone;ethane

C13H25NO2 — CID 144942244

IUPAC(3,3-dimethylpyrrolidin-1-yl)-[(3S)-oxolan-3-yl]methanone;ethane
SMILESCC.CC1(C)CCN(C(=O)[C@H]2CCOC2)C1
InChIInChI=1S/C11H19NO2.C2H6/c1-11(2)4-5-12(8-11)10(13)9-3-6-14-7-9;1-2/h9H,3-8H2,1-2H3;1-2H3/t9-;/m0./s1
InChIKeyKLDUWCLQZZSUDT-FVGYRXGTSA-N
MW227.35 g/mol
LogP2.31
Rot. Bonds1

About (3,3-dimethylpyrrolidin-1-yl)-[(3S)-oxolan-3-yl]methanone;ethane

(3,3-dimethylpyrrolidin-1-yl)-[(3S)-oxolan-3-yl]methanone;ethane (PubChem CID 144942244) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (3,3-dimethylpyrrolidin-1-yl)-[(3S)-oxolan-3-yl]methanone;ethane.

Molecular Properties

Compound Name(3,3-dimethylpyrrolidin-1-yl)-[(3S)-oxolan-3-yl]methanone;ethane
PubChem CID144942244
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(3,3-dimethylpyrrolidin-1-yl)-[(3S)-oxolan-3-yl]methanone;ethane
SMILESCC.CC1(C)CCN(C(=O)[C@H]2CCOC2)C1
InChIInChI=1S/C11H19NO2.C2H6/c1-11(2)4-5-12(8-11)10(13)9-3-6-14-7-9;1-2/h9H,3-8H2,1-2H3;1-2H3/t9-;/m0./s1
InChIKeyKLDUWCLQZZSUDT-FVGYRXGTSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,3-dimethylpyrrolidin-1-yl)-(1-methylazetidin-3-yl)methanone;ethane
CID 144942313
(3-fluoro-3-methylpyrrolidin-1-yl)-(oxetan-3-yl)methanone
CID 127013160
5-oxa-2,8-diazaspiro[3.5]nonan-8-yl(oxolan-3-yl)methanone
CID 131651947
(7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)-(oxolan-3-yl)methanone
CID 134076233
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 129368564
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 129368566
(4R,5S)-2-methyl-7-[(3S)-oxolane-3-carbonyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 98777017
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(oxolan-3-yl)methanone
CID 81097493
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(oxolan-3-yl)methanone
CID 114781292
[4-(1-hydroxyethyl)piperidin-1-yl]-(oxolan-3-yl)methanone
CID 112537686
(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 94917604
(3,5-dimethylpiperazin-1-yl)-(oxolan-3-yl)methanone
CID 63872887

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpyrrolidin-1-yl)-[(3S)-oxolan-3-yl]methanone;ethane?
The IUPAC name of (3,3-dimethylpyrrolidin-1-yl)-[(3S)-oxolan-3-yl]methanone;ethane (CID 144942244) is (3,3-dimethylpyrrolidin-1-yl)-[(3S)-oxolan-3-yl]methanone;ethane.
What is the SMILES notation for (3,3-dimethylpyrrolidin-1-yl)-[(3S)-oxolan-3-yl]methanone;ethane?
The canonical SMILES for (3,3-dimethylpyrrolidin-1-yl)-[(3S)-oxolan-3-yl]methanone;ethane is CC.CC1(C)CCN(C(=O)[C@H]2CCOC2)C1.
What is the InChIKey of (3,3-dimethylpyrrolidin-1-yl)-[(3S)-oxolan-3-yl]methanone;ethane?
The InChIKey is KLDUWCLQZZSUDT-FVGYRXGTSA-N. The full InChI is InChI=1S/C11H19NO2.C2H6/c1-11(2)4-5-12(8-11)10(13)9-3-6-14-7-9;1-2/h9H,3-8H2,1-2H3;1-2H3/t9-;/m0./s1.
What are the key properties of (3,3-dimethylpyrrolidin-1-yl)-[(3S)-oxolan-3-yl]methanone;ethane?
(3,3-dimethylpyrrolidin-1-yl)-[(3S)-oxolan-3-yl]methanone;ethane has a molecular weight of 227.35 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpyrrolidin-1-yl)-[(3S)-oxolan-3-yl]methanone;ethane is sourced from PubChem (CID 144942244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).