(3S)-3-ethyl-3,5,5-trimethylmorpholin-2-one

C9H17NO2 — CID 42303356

IUPAC(3S)-3-ethyl-3,5,5-trimethylmorpholin-2-one
SMILESCC[C@]1(C)NC(C)(C)COC1=O
InChIInChI=1S/C9H17NO2/c1-5-9(4)7(11)12-6-8(2,3)10-9/h10H,5-6H2,1-4H3/t9-/m0/s1
InChIKeyKGKBDJTUKBJFEU-VIFPVBQESA-N
MW171.24 g/mol
LogP1.08
Rot. Bonds1

About (3S)-3-ethyl-3,5,5-trimethylmorpholin-2-one

(3S)-3-ethyl-3,5,5-trimethylmorpholin-2-one (PubChem CID 42303356) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (3S)-3-ethyl-3,5,5-trimethylmorpholin-2-one.

Molecular Properties

Compound Name(3S)-3-ethyl-3,5,5-trimethylmorpholin-2-one
PubChem CID42303356
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(3S)-3-ethyl-3,5,5-trimethylmorpholin-2-one
SMILESCC[C@]1(C)NC(C)(C)COC1=O
InChIInChI=1S/C9H17NO2/c1-5-9(4)7(11)12-6-8(2,3)10-9/h10H,5-6H2,1-4H3/t9-/m0/s1
InChIKeyKGKBDJTUKBJFEU-VIFPVBQESA-N
XLogP1.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azidomethyl)-3,5,5-trimethylmorpholin-2-one
CID 132547144
(3S)-3-ethyl-3-methyloxetan-2-one
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CID 13131207
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CID 89305156
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CID 58711103
3,3-diethyl-5,5-dimethyl-4-(methylamino)morpholin-2-one
CID 142036948
3-ethyl-3,5,5-trimethyl-1-phenylpiperazin-2-one
CID 134907528
2-ethyl-2-methylpyrrolidin-3-one
CID 83826189
4-ethyl-4-methyloxolane-2,3-dione
CID 12948839
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CID 142709754

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-3,5,5-trimethylmorpholin-2-one?
The IUPAC name of (3S)-3-ethyl-3,5,5-trimethylmorpholin-2-one (CID 42303356) is (3S)-3-ethyl-3,5,5-trimethylmorpholin-2-one.
What is the SMILES notation for (3S)-3-ethyl-3,5,5-trimethylmorpholin-2-one?
The canonical SMILES for (3S)-3-ethyl-3,5,5-trimethylmorpholin-2-one is CC[C@]1(C)NC(C)(C)COC1=O.
What is the InChIKey of (3S)-3-ethyl-3,5,5-trimethylmorpholin-2-one?
The InChIKey is KGKBDJTUKBJFEU-VIFPVBQESA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-9(4)7(11)12-6-8(2,3)10-9/h10H,5-6H2,1-4H3/t9-/m0/s1.
What are the key properties of (3S)-3-ethyl-3,5,5-trimethylmorpholin-2-one?
(3S)-3-ethyl-3,5,5-trimethylmorpholin-2-one has a molecular weight of 171.24 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-3,5,5-trimethylmorpholin-2-one is sourced from PubChem (CID 42303356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).