3-ethyl-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one

C13H23NO2 — CID 70169361

IUPAC3-ethyl-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one
SMILESC=CC(C)(CC)C(C)C(=O)N1CCOCC1
InChIInChI=1S/C13H23NO2/c1-5-13(4,6-2)11(3)12(15)14-7-9-16-10-8-14/h5,11H,1,6-10H2,2-4H3
InChIKeyWBHFRMUPYWCDFC-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.08
Rot. Bonds4

About 3-ethyl-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one

3-ethyl-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one (PubChem CID 70169361) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 3-ethyl-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one.

Molecular Properties

Compound Name3-ethyl-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one
PubChem CID70169361
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name3-ethyl-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one
SMILESC=CC(C)(CC)C(C)C(=O)N1CCOCC1
InChIInChI=1S/C13H23NO2/c1-5-13(4,6-2)11(3)12(15)14-7-9-16-10-8-14/h5,11H,1,6-10H2,2-4H3
InChIKeyWBHFRMUPYWCDFC-UHFFFAOYSA-N
XLogP2.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylpropan-1-one
CID 114174239
(2R,3S)-3-hydroxy-2,3,5-trimethyl-1-morpholin-4-ylhexan-1-one
CID 139039179
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 114154119
2-(2-amino-2-methylbutoxy)-1-morpholin-4-ylpropan-1-one
CID 64572524
2,2,3-trimethyl-1-morpholin-4-ylbutan-1-one
CID 23551857
(2R)-2-hydroxy-1-morpholin-4-ylbutan-1-one
CID 69457105
(2S)-2-chloro-1-morpholin-4-ylpropan-1-one
CID 2434799
2-chloro-1-morpholin-4-ylbutan-1-one
CID 62226878
2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylethanone
CID 103746720
(2R)-2-amino-1-morpholin-4-ylpropan-1-one;hydrochloride
CID 156637014
(2S)-2-hydroxy-3-methyl-1-morpholin-4-ylbutan-1-one
CID 69460030
(2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-1-one
CID 1121708

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one?
The IUPAC name of 3-ethyl-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one (CID 70169361) is 3-ethyl-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one.
What is the SMILES notation for 3-ethyl-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one?
The canonical SMILES for 3-ethyl-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one is C=CC(C)(CC)C(C)C(=O)N1CCOCC1.
What is the InChIKey of 3-ethyl-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one?
The InChIKey is WBHFRMUPYWCDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-5-13(4,6-2)11(3)12(15)14-7-9-16-10-8-14/h5,11H,1,6-10H2,2-4H3.
What are the key properties of 3-ethyl-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one?
3-ethyl-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one has a molecular weight of 225.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one is sourced from PubChem (CID 70169361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).