5-ethyl-5-(hydroxymethyl)-3,3-dimethylmorpholin-2-one

C9H17NO3 — CID 13131207

IUPAC5-ethyl-5-(hydroxymethyl)-3,3-dimethylmorpholin-2-one
SMILESCCC1(CO)COC(=O)C(C)(C)N1
InChIInChI=1S/C9H17NO3/c1-4-9(5-11)6-13-7(12)8(2,3)10-9/h10-11H,4-6H2,1-3H3
InChIKeyIXJGPWJVLDGXRM-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.05
Rot. Bonds2

About 5-ethyl-5-(hydroxymethyl)-3,3-dimethylmorpholin-2-one

5-ethyl-5-(hydroxymethyl)-3,3-dimethylmorpholin-2-one (PubChem CID 13131207) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 5-ethyl-5-(hydroxymethyl)-3,3-dimethylmorpholin-2-one.

Molecular Properties

Compound Name5-ethyl-5-(hydroxymethyl)-3,3-dimethylmorpholin-2-one
PubChem CID13131207
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name5-ethyl-5-(hydroxymethyl)-3,3-dimethylmorpholin-2-one
SMILESCCC1(CO)COC(=O)C(C)(C)N1
InChIInChI=1S/C9H17NO3/c1-4-9(5-11)6-13-7(12)8(2,3)10-9/h10-11H,4-6H2,1-3H3
InChIKeyIXJGPWJVLDGXRM-UHFFFAOYSA-N
XLogP0.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-ethyl-3,5,5-trimethylmorpholin-2-one
CID 42303356
(3S)-3-ethyl-3-methyloxetan-2-one
CID 102402061
[4-ethyl-2-methyl-2-(2-methylpropyl)-1,3-oxazolidin-4-yl]methanol
CID 19920835
4-ethyl-10-(hydroxymethyl)-4,10-dimethyl-2,8-dioxaspiro[5.5]undecane-1,9-dione
CID 20734602
1-(3,5,5-trimethyl-6-oxomorpholin-3-yl)ethyl 2-ethylhexanoate
CID 142971697
3,3-diethyl-5,5-dimethyl-4-(methylamino)morpholin-2-one
CID 142036948
3,3-diethyl-4-methoxy-5,5-dimethylmorpholin-2-one
CID 89305156
2-[5-ethyl-5-(hydroxymethyl)morpholin-2-yl]acetic acid;hydrochloride
CID 45259977
(4-ethyl-2-oxo-1,3-oxazolidin-4-yl)methyl (Z)-but-2-enoate
CID 15859264
[(2R,4S)-4-ethyl-2-[4-[(2S,4R)-4-ethyl-4-(hydroxymethyl)-1,3-oxazolidin-2-yl]phenyl]-1,3-oxazolidin-4-yl]methanol
CID 101166026
(3R)-3-ethyl-3-hydroxyoxolan-2-one
CID 100940075
4-ethyl-4-hydroxy-1,3-oxazolidin-2-one
CID 19933761

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-(hydroxymethyl)-3,3-dimethylmorpholin-2-one?
The IUPAC name of 5-ethyl-5-(hydroxymethyl)-3,3-dimethylmorpholin-2-one (CID 13131207) is 5-ethyl-5-(hydroxymethyl)-3,3-dimethylmorpholin-2-one.
What is the SMILES notation for 5-ethyl-5-(hydroxymethyl)-3,3-dimethylmorpholin-2-one?
The canonical SMILES for 5-ethyl-5-(hydroxymethyl)-3,3-dimethylmorpholin-2-one is CCC1(CO)COC(=O)C(C)(C)N1.
What is the InChIKey of 5-ethyl-5-(hydroxymethyl)-3,3-dimethylmorpholin-2-one?
The InChIKey is IXJGPWJVLDGXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-4-9(5-11)6-13-7(12)8(2,3)10-9/h10-11H,4-6H2,1-3H3.
What are the key properties of 5-ethyl-5-(hydroxymethyl)-3,3-dimethylmorpholin-2-one?
5-ethyl-5-(hydroxymethyl)-3,3-dimethylmorpholin-2-one has a molecular weight of 187.24 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-(hydroxymethyl)-3,3-dimethylmorpholin-2-one is sourced from PubChem (CID 13131207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).