4-ethyl-3,6,6-trimethylmorpholin-2-one

C9H17NO2 — CID 154397925

IUPAC4-ethyl-3,6,6-trimethylmorpholin-2-one
SMILESCCN1CC(C)(C)OC(=O)C1C
InChIInChI=1S/C9H17NO2/c1-5-10-6-9(3,4)12-8(11)7(10)2/h7H,5-6H2,1-4H3
InChIKeyILDCXPRRBGYKIB-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.03
Rot. Bonds1

About 4-ethyl-3,6,6-trimethylmorpholin-2-one

4-ethyl-3,6,6-trimethylmorpholin-2-one (PubChem CID 154397925) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-ethyl-3,6,6-trimethylmorpholin-2-one.

Molecular Properties

Compound Name4-ethyl-3,6,6-trimethylmorpholin-2-one
PubChem CID154397925
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name4-ethyl-3,6,6-trimethylmorpholin-2-one
SMILESCCN1CC(C)(C)OC(=O)C1C
InChIInChI=1S/C9H17NO2/c1-5-10-6-9(3,4)12-8(11)7(10)2/h7H,5-6H2,1-4H3
InChIKeyILDCXPRRBGYKIB-UHFFFAOYSA-N
XLogP1.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
CID 53244782
2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-(3-methyl-4-pyridinyl)acetamide
CID 163835655
N-[[2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-3-methoxyphenyl]methyl]acetamide
CID 140597165
6-ethyl-1,2,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 59623319
4,4-diethyl-3-methyloxetan-2-one
CID 10997137
3,5-diethyl-5-methyl-1,3-oxazolidin-2-one
CID 22000696
1-ethyl-6-methylpiperidin-3-one
CID 566691
3-ethyl-6,6-dimethyl-1,3-oxazinane-2,4-dione
CID 89228585
(3R,4S)-4-cyclohexyl-3,4-dimethyloxetan-2-one
CID 88528296
(3R,4R)-3-chloro-4-ethyl-4-methyloxetan-2-one
CID 130935409
3-ethyl-5-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one
CID 115064735
4-(2-fluoroethyl)-6,6-dimethyl-3-[2-oxo-3-(4-propan-2-ylphenyl)propyl]morpholin-2-one
CID 157126602

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,6,6-trimethylmorpholin-2-one?
The IUPAC name of 4-ethyl-3,6,6-trimethylmorpholin-2-one (CID 154397925) is 4-ethyl-3,6,6-trimethylmorpholin-2-one.
What is the SMILES notation for 4-ethyl-3,6,6-trimethylmorpholin-2-one?
The canonical SMILES for 4-ethyl-3,6,6-trimethylmorpholin-2-one is CCN1CC(C)(C)OC(=O)C1C.
What is the InChIKey of 4-ethyl-3,6,6-trimethylmorpholin-2-one?
The InChIKey is ILDCXPRRBGYKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-10-6-9(3,4)12-8(11)7(10)2/h7H,5-6H2,1-4H3.
What are the key properties of 4-ethyl-3,6,6-trimethylmorpholin-2-one?
4-ethyl-3,6,6-trimethylmorpholin-2-one has a molecular weight of 171.24 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,6,6-trimethylmorpholin-2-one is sourced from PubChem (CID 154397925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).