(3,3-dimethylmorpholin-4-yl)-(2-methyloxan-4-yl)methanone

C13H23NO3 — CID 127749948

IUPAC(3,3-dimethylmorpholin-4-yl)-(2-methyloxan-4-yl)methanone
SMILESCC1CC(C(=O)N2CCOCC2(C)C)CCO1
InChIInChI=1S/C13H23NO3/c1-10-8-11(4-6-17-10)12(15)14-5-7-16-9-13(14,2)3/h10-11H,4-9H2,1-3H3
InChIKeyKQRSOXCLCMJRKB-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.44
Rot. Bonds1

About (3,3-dimethylmorpholin-4-yl)-(2-methyloxan-4-yl)methanone

(3,3-dimethylmorpholin-4-yl)-(2-methyloxan-4-yl)methanone (PubChem CID 127749948) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is (3,3-dimethylmorpholin-4-yl)-(2-methyloxan-4-yl)methanone.

Molecular Properties

Compound Name(3,3-dimethylmorpholin-4-yl)-(2-methyloxan-4-yl)methanone
PubChem CID127749948
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name(3,3-dimethylmorpholin-4-yl)-(2-methyloxan-4-yl)methanone
SMILESCC1CC(C(=O)N2CCOCC2(C)C)CCO1
InChIInChI=1S/C13H23NO3/c1-10-8-11(4-6-17-10)12(15)14-5-7-16-9-13(14,2)3/h10-11H,4-9H2,1-3H3
InChIKeyKQRSOXCLCMJRKB-UHFFFAOYSA-N
XLogP1.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylmorpholin-4-yl)-(2-methyloxan-4-yl)methanone?
The IUPAC name of (3,3-dimethylmorpholin-4-yl)-(2-methyloxan-4-yl)methanone (CID 127749948) is (3,3-dimethylmorpholin-4-yl)-(2-methyloxan-4-yl)methanone.
What is the SMILES notation for (3,3-dimethylmorpholin-4-yl)-(2-methyloxan-4-yl)methanone?
The canonical SMILES for (3,3-dimethylmorpholin-4-yl)-(2-methyloxan-4-yl)methanone is CC1CC(C(=O)N2CCOCC2(C)C)CCO1.
What is the InChIKey of (3,3-dimethylmorpholin-4-yl)-(2-methyloxan-4-yl)methanone?
The InChIKey is KQRSOXCLCMJRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10-8-11(4-6-17-10)12(15)14-5-7-16-9-13(14,2)3/h10-11H,4-9H2,1-3H3.
What are the key properties of (3,3-dimethylmorpholin-4-yl)-(2-methyloxan-4-yl)methanone?
(3,3-dimethylmorpholin-4-yl)-(2-methyloxan-4-yl)methanone has a molecular weight of 241.33 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylmorpholin-4-yl)-(2-methyloxan-4-yl)methanone is sourced from PubChem (CID 127749948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).