2,2,3-trimethyl-1-morpholin-4-ylbutan-1-one

C11H21NO2 — CID 23551857

IUPAC2,2,3-trimethyl-1-morpholin-4-ylbutan-1-one
SMILESCC(C)C(C)(C)C(=O)N1CCOCC1
InChIInChI=1S/C11H21NO2/c1-9(2)11(3,4)10(13)12-5-7-14-8-6-12/h9H,5-8H2,1-4H3
InChIKeyALEBIVVEQBXJQX-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.53
Rot. Bonds2

About 2,2,3-trimethyl-1-morpholin-4-ylbutan-1-one

2,2,3-trimethyl-1-morpholin-4-ylbutan-1-one (PubChem CID 23551857) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2,2,3-trimethyl-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name2,2,3-trimethyl-1-morpholin-4-ylbutan-1-one
PubChem CID23551857
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2,2,3-trimethyl-1-morpholin-4-ylbutan-1-one
SMILESCC(C)C(C)(C)C(=O)N1CCOCC1
InChIInChI=1S/C11H21NO2/c1-9(2)11(3,4)10(13)12-5-7-14-8-6-12/h9H,5-8H2,1-4H3
InChIKeyALEBIVVEQBXJQX-UHFFFAOYSA-N
XLogP1.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-methyl-2-(methylamino)-1-morpholin-4-ylpropan-1-one
CID 168940917
2,2,3,3-tetrafluoro-1-morpholin-4-ylpropan-1-one
CID 3621669
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione
CID 108959851
(2S)-2-chloro-1-morpholin-4-ylpropan-1-one
CID 2434799
3,3-dimethyl-1-morpholin-4-ylbutane-1,2-dione
CID 58498578
3,3-dimethyl-4-morpholin-4-ylpentan-2-one
CID 13398806
tert-butyl (2R)-2-(morpholine-4-carbonylamino)propanoate
CID 80979649
1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
CID 20707611
1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone
CID 10335257
1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
CID 949153
3-chloro-2,2-dimethyl-1-(1,4-oxazepan-4-yl)propan-1-one
CID 63663845
(2S)-2-hydroxy-3-methyl-1-morpholin-4-ylbutan-1-one
CID 69460030

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 2,2,3-trimethyl-1-morpholin-4-ylbutan-1-one (CID 23551857) is 2,2,3-trimethyl-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 2,2,3-trimethyl-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 2,2,3-trimethyl-1-morpholin-4-ylbutan-1-one is CC(C)C(C)(C)C(=O)N1CCOCC1.
What is the InChIKey of 2,2,3-trimethyl-1-morpholin-4-ylbutan-1-one?
The InChIKey is ALEBIVVEQBXJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)11(3,4)10(13)12-5-7-14-8-6-12/h9H,5-8H2,1-4H3.
What are the key properties of 2,2,3-trimethyl-1-morpholin-4-ylbutan-1-one?
2,2,3-trimethyl-1-morpholin-4-ylbutan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 23551857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).