[(2R)-2-methylmorpholin-4-yl]-[(3S)-3-methyloxolan-3-yl]methanone

C11H19NO3 — CID 90213318

IUPAC[(2R)-2-methylmorpholin-4-yl]-[(3S)-3-methyloxolan-3-yl]methanone
SMILESC[C@@H]1CN(C(=O)[C@@]2(C)CCOC2)CCO1
InChIInChI=1S/C11H19NO3/c1-9-7-12(4-6-15-9)10(13)11(2)3-5-14-8-11/h9H,3-8H2,1-2H3/t9-,11+/m1/s1
InChIKeyNBTROVCVVHKUPN-KOLCDFICSA-N
MW213.28 g/mol
LogP0.66
Rot. Bonds1

About [(2R)-2-methylmorpholin-4-yl]-[(3S)-3-methyloxolan-3-yl]methanone

[(2R)-2-methylmorpholin-4-yl]-[(3S)-3-methyloxolan-3-yl]methanone (PubChem CID 90213318) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is [(2R)-2-methylmorpholin-4-yl]-[(3S)-3-methyloxolan-3-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-methylmorpholin-4-yl]-[(3S)-3-methyloxolan-3-yl]methanone
PubChem CID90213318
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name[(2R)-2-methylmorpholin-4-yl]-[(3S)-3-methyloxolan-3-yl]methanone
SMILESC[C@@H]1CN(C(=O)[C@@]2(C)CCOC2)CCO1
InChIInChI=1S/C11H19NO3/c1-9-7-12(4-6-15-9)10(13)11(2)3-5-14-8-11/h9H,3-8H2,1-2H3/t9-,11+/m1/s1
InChIKeyNBTROVCVVHKUPN-KOLCDFICSA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methylmorpholin-4-yl]-[(3S)-3-methyloxolan-3-yl]methanone?
The IUPAC name of [(2R)-2-methylmorpholin-4-yl]-[(3S)-3-methyloxolan-3-yl]methanone (CID 90213318) is [(2R)-2-methylmorpholin-4-yl]-[(3S)-3-methyloxolan-3-yl]methanone.
What is the SMILES notation for [(2R)-2-methylmorpholin-4-yl]-[(3S)-3-methyloxolan-3-yl]methanone?
The canonical SMILES for [(2R)-2-methylmorpholin-4-yl]-[(3S)-3-methyloxolan-3-yl]methanone is C[C@@H]1CN(C(=O)[C@@]2(C)CCOC2)CCO1.
What is the InChIKey of [(2R)-2-methylmorpholin-4-yl]-[(3S)-3-methyloxolan-3-yl]methanone?
The InChIKey is NBTROVCVVHKUPN-KOLCDFICSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9-7-12(4-6-15-9)10(13)11(2)3-5-14-8-11/h9H,3-8H2,1-2H3/t9-,11+/m1/s1.
What are the key properties of [(2R)-2-methylmorpholin-4-yl]-[(3S)-3-methyloxolan-3-yl]methanone?
[(2R)-2-methylmorpholin-4-yl]-[(3S)-3-methyloxolan-3-yl]methanone has a molecular weight of 213.28 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methylmorpholin-4-yl]-[(3S)-3-methyloxolan-3-yl]methanone is sourced from PubChem (CID 90213318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).