[(3S)-3-methylmorpholin-4-yl]-(oxan-4-yl)methanone

C11H19NO3 — CID 95614757

IUPAC[(3S)-3-methylmorpholin-4-yl]-(oxan-4-yl)methanone
SMILESC[C@H]1COCCN1C(=O)C1CCOCC1
InChIInChI=1S/C11H19NO3/c1-9-8-15-7-4-12(9)11(13)10-2-5-14-6-3-10/h9-10H,2-8H2,1H3/t9-/m0/s1
InChIKeyNPDNWFARBWLMSA-VIFPVBQESA-N
MW213.28 g/mol
LogP0.66
Rot. Bonds1

About [(3S)-3-methylmorpholin-4-yl]-(oxan-4-yl)methanone

[(3S)-3-methylmorpholin-4-yl]-(oxan-4-yl)methanone (PubChem CID 95614757) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is [(3S)-3-methylmorpholin-4-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-methylmorpholin-4-yl]-(oxan-4-yl)methanone
PubChem CID95614757
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name[(3S)-3-methylmorpholin-4-yl]-(oxan-4-yl)methanone
SMILESC[C@H]1COCCN1C(=O)C1CCOCC1
InChIInChI=1S/C11H19NO3/c1-9-8-15-7-4-12(9)11(13)10-2-5-14-6-3-10/h9-10H,2-8H2,1H3/t9-/m0/s1
InChIKeyNPDNWFARBWLMSA-VIFPVBQESA-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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Related Compounds

[(3S)-3-methylmorpholin-4-yl]-(oxolan-3-yl)methanone
CID 130180210
[(1S,3R)-3-[(3R)-3-methylmorpholine-4-carbonyl]cyclohexyl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 124866912
7-bicyclo[4.1.0]heptanyl-(3-methylmorpholin-4-yl)methanone
CID 71925557
(2R,5S)-5-[(3R)-3-methylmorpholine-4-carbonyl]oxolane-2-carboxylic acid
CID 106773953
(3-methylmorpholin-4-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 61156609
(4-aminooxolan-3-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106774354
(3-methylmorpholin-4-yl)-(3-methylpiperidin-2-yl)methanone
CID 62340300
methyl 3-methylmorpholine-4-carboxylate
CID 110292243
2-[4-(3-methylmorpholine-4-carbonyl)piperidin-1-yl]sulfonylbenzoic acid
CID 119181381
3-methyl-1-(3-methylmorpholin-4-yl)but-2-en-1-one
CID 130157030
2-hydroxy-2-methyl-1-(3-methylmorpholin-4-yl)propan-1-one
CID 103429510
(2R)-2-amino-3-methyl-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 93111667

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methylmorpholin-4-yl]-(oxan-4-yl)methanone?
The IUPAC name of [(3S)-3-methylmorpholin-4-yl]-(oxan-4-yl)methanone (CID 95614757) is [(3S)-3-methylmorpholin-4-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [(3S)-3-methylmorpholin-4-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [(3S)-3-methylmorpholin-4-yl]-(oxan-4-yl)methanone is C[C@H]1COCCN1C(=O)C1CCOCC1.
What is the InChIKey of [(3S)-3-methylmorpholin-4-yl]-(oxan-4-yl)methanone?
The InChIKey is NPDNWFARBWLMSA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19NO3/c1-9-8-15-7-4-12(9)11(13)10-2-5-14-6-3-10/h9-10H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of [(3S)-3-methylmorpholin-4-yl]-(oxan-4-yl)methanone?
[(3S)-3-methylmorpholin-4-yl]-(oxan-4-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 [(3S)-3-methylmorpholin-4-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 95614757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).