[4-(methylamino)oxolan-3-yl]-(oxan-3-yl)methanone

C11H19NO3 — CID 107138332

IUPAC[4-(methylamino)oxolan-3-yl]-(oxan-3-yl)methanone
SMILESCNC1COCC1C(=O)C1CCCOC1
InChIInChI=1S/C11H19NO3/c1-12-10-7-15-6-9(10)11(13)8-3-2-4-14-5-8/h8-10,12H,2-7H2,1H3
InChIKeyXDXJTICXEFOZCK-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.22
Rot. Bonds3

About [4-(methylamino)oxolan-3-yl]-(oxan-3-yl)methanone

[4-(methylamino)oxolan-3-yl]-(oxan-3-yl)methanone (PubChem CID 107138332) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is [4-(methylamino)oxolan-3-yl]-(oxan-3-yl)methanone.

Molecular Properties

Compound Name[4-(methylamino)oxolan-3-yl]-(oxan-3-yl)methanone
PubChem CID107138332
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name[4-(methylamino)oxolan-3-yl]-(oxan-3-yl)methanone
SMILESCNC1COCC1C(=O)C1CCCOC1
InChIInChI=1S/C11H19NO3/c1-12-10-7-15-6-9(10)11(13)8-3-2-4-14-5-8/h8-10,12H,2-7H2,1H3
InChIKeyXDXJTICXEFOZCK-UHFFFAOYSA-N
XLogP0.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Amino-3-methyloxolan-3-yl)-(oxan-3-yl)methanone
CID 107138338
(4-Aminooxolan-3-yl)-(oxan-3-yl)methanone
CID 107138422
Oxan-3-yl-[4-(propylamino)oxolan-3-yl]methanone
CID 107138423
[4-(Ethylamino)oxolan-3-yl]-(oxan-3-yl)methanone
CID 107138424
(2-Methylpyrrolidin-3-yl)-(oxan-3-yl)methanone
CID 107138437
2-Morpholin-3-yl-1-(oxan-3-yl)ethanone
CID 107138449
2-Methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one
CID 107889955
2-Methyl-1-[4-(propylamino)oxolan-3-yl]pentan-1-one
CID 107890182
1-[4-(Ethylamino)oxolan-3-yl]-2-methylpentan-1-one
CID 107890185
3-Ethyl-1-[4-(propylamino)oxolan-3-yl]heptan-1-one
CID 113540236
2-Cyclohexyl-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 113540262
(4-Methylcyclohexyl)-[4-(propylamino)oxolan-3-yl]methanone
CID 113540272

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)oxolan-3-yl]-(oxan-3-yl)methanone?
The IUPAC name of [4-(methylamino)oxolan-3-yl]-(oxan-3-yl)methanone (CID 107138332) is [4-(methylamino)oxolan-3-yl]-(oxan-3-yl)methanone.
What is the SMILES notation for [4-(methylamino)oxolan-3-yl]-(oxan-3-yl)methanone?
The canonical SMILES for [4-(methylamino)oxolan-3-yl]-(oxan-3-yl)methanone is CNC1COCC1C(=O)C1CCCOC1.
What is the InChIKey of [4-(methylamino)oxolan-3-yl]-(oxan-3-yl)methanone?
The InChIKey is XDXJTICXEFOZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-12-10-7-15-6-9(10)11(13)8-3-2-4-14-5-8/h8-10,12H,2-7H2,1H3.
What are the key properties of [4-(methylamino)oxolan-3-yl]-(oxan-3-yl)methanone?
[4-(methylamino)oxolan-3-yl]-(oxan-3-yl)methanone has a molecular weight of 213.28 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)oxolan-3-yl]-(oxan-3-yl)methanone is sourced from PubChem (CID 107138332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).