1-[(2S)-2-butylmorpholin-4-yl]ethanone

C10H19NO2 — CID 155354328

IUPAC1-[(2S)-2-butylmorpholin-4-yl]ethanone
SMILESCCCC[C@H]1CN(C(C)=O)CCO1
InChIInChI=1S/C10H19NO2/c1-3-4-5-10-8-11(9(2)12)6-7-13-10/h10H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyDLIKEVCUIGLQGX-JTQLQIEISA-N
MW185.27 g/mol
LogP1.42
Rot. Bonds3

About 1-[(2S)-2-butylmorpholin-4-yl]ethanone

1-[(2S)-2-butylmorpholin-4-yl]ethanone (PubChem CID 155354328) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-[(2S)-2-butylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-butylmorpholin-4-yl]ethanone
PubChem CID155354328
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-[(2S)-2-butylmorpholin-4-yl]ethanone
SMILESCCCC[C@H]1CN(C(C)=O)CCO1
InChIInChI=1S/C10H19NO2/c1-3-4-5-10-8-11(9(2)12)6-7-13-10/h10H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyDLIKEVCUIGLQGX-JTQLQIEISA-N
XLogP1.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-propylmorpholin-4-yl)ethanone
CID 89170982
1-[2-(2-hydroxyethyl)morpholin-4-yl]ethanone
CID 89469195
2-propylmorpholine-4-carbonyl chloride
CID 141381731
1-(2-propylmorpholin-4-yl)prop-2-yn-1-one
CID 131131858
(2S)-2-butyl-4-decylmorpholine
CID 98152093
1-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone
CID 166157668
2-methyl-1-[(2R)-2-(4-methylpentyl)morpholin-4-yl]propan-1-one
CID 95225161
butyl 2-(3-methylsulfonyloxypropyl)morpholine-4-carboxylate
CID 131988933
N-[[(2S)-4-acetylmorpholin-2-yl]methyl]-4-butylbenzenesulfonamide
CID 125435531
2-ethylmorpholine-4-carboxylic acid
CID 121455686
(2S)-2-amino-1-(2-ethylmorpholin-4-yl)hexan-1-one
CID 103831207
1-(4-acetylmorpholin-2-yl)ethanone
CID 59110253

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-butylmorpholin-4-yl]ethanone?
The IUPAC name of 1-[(2S)-2-butylmorpholin-4-yl]ethanone (CID 155354328) is 1-[(2S)-2-butylmorpholin-4-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-butylmorpholin-4-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-butylmorpholin-4-yl]ethanone is CCCC[C@H]1CN(C(C)=O)CCO1.
What is the InChIKey of 1-[(2S)-2-butylmorpholin-4-yl]ethanone?
The InChIKey is DLIKEVCUIGLQGX-JTQLQIEISA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-4-5-10-8-11(9(2)12)6-7-13-10/h10H,3-8H2,1-2H3/t10-/m0/s1.
What are the key properties of 1-[(2S)-2-butylmorpholin-4-yl]ethanone?
1-[(2S)-2-butylmorpholin-4-yl]ethanone has a molecular weight of 185.27 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-butylmorpholin-4-yl]ethanone is sourced from PubChem (CID 155354328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).