(2,2-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone

C11H19NO3 — CID 51078971

IUPAC(2,2-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone
SMILESCC1(C)CN(C(=O)C2CCCO2)CCO1
InChIInChI=1S/C11H19NO3/c1-11(2)8-12(5-7-15-11)10(13)9-4-3-6-14-9/h9H,3-8H2,1-2H3
InChIKeyXIANXLNAGTVODG-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.80
Rot. Bonds1

About (2,2-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone

(2,2-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone (PubChem CID 51078971) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2,2-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone
PubChem CID51078971
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(2,2-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone
SMILESCC1(C)CN(C(=O)C2CCCO2)CCO1
InChIInChI=1S/C11H19NO3/c1-11(2)8-12(5-7-15-11)10(13)9-4-3-6-14-9/h9H,3-8H2,1-2H3
InChIKeyXIANXLNAGTVODG-UHFFFAOYSA-N
XLogP0.80
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(6S)-4-[(2R)-oxolane-2-carbonyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 95043174
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
[(3R)-3-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 143794584
4-methyl-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
CID 95015441
3-fluoro-1-(oxolane-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 115731713
3-(2,2-dimethylmorpholine-4-carbonyl)cyclopentane-1-carboxylic acid
CID 103550019
1-[4-[1-(oxolane-2-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 113003827
3-ethyl-1-[(2S)-oxolane-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 104855679
[(6S)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[(2R)-oxolan-2-yl]methanone
CID 97492362
(4S)-1-cyclopentyl-4-(2,2-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 99591121
(4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 59620099
[(3S,5S)-3-ethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-[(2R)-oxolan-2-yl]methanone
CID 124914020

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone?
The IUPAC name of (2,2-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone (CID 51078971) is (2,2-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone.
What is the SMILES notation for (2,2-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone?
The canonical SMILES for (2,2-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone is CC1(C)CN(C(=O)C2CCCO2)CCO1.
What is the InChIKey of (2,2-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone?
The InChIKey is XIANXLNAGTVODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(2)8-12(5-7-15-11)10(13)9-4-3-6-14-9/h9H,3-8H2,1-2H3.
What are the key properties of (2,2-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone?
(2,2-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone has a molecular weight of 213.28 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone is sourced from PubChem (CID 51078971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).