(2,6-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone

C11H19NO3 — CID 2947441

IUPAC(2,6-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone
SMILESCC1CN(C(=O)C2CCCO2)CC(C)O1
InChIInChI=1S/C11H19NO3/c1-8-6-12(7-9(2)15-8)11(13)10-4-3-5-14-10/h8-10H,3-7H2,1-2H3
InChIKeyBKHTWVCECMDOPX-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.80
Rot. Bonds1

About (2,6-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone

(2,6-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone (PubChem CID 2947441) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone
PubChem CID2947441
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(2,6-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone
SMILESCC1CN(C(=O)C2CCCO2)CC(C)O1
InChIInChI=1S/C11H19NO3/c1-8-6-12(7-9(2)15-8)11(13)10-4-3-5-14-10/h8-10H,3-7H2,1-2H3
InChIKeyBKHTWVCECMDOPX-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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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone (CID 2947441) is (2,6-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone is CC1CN(C(=O)C2CCCO2)CC(C)O1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone?
The InChIKey is BKHTWVCECMDOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8-6-12(7-9(2)15-8)11(13)10-4-3-5-14-10/h8-10H,3-7H2,1-2H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone?
(2,6-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 (2,6-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone is sourced from PubChem (CID 2947441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).