3-[(E)-but-2-en-2-yl]-2-ethyl-5,5-dimethylmorpholine

C12H23NO — CID 15315812

IUPAC3-[(E)-but-2-en-2-yl]-2-ethyl-5,5-dimethylmorpholine
SMILESC/C=C(\C)C1NC(C)(C)COC1CC
InChIInChI=1S/C12H23NO/c1-6-9(3)11-10(7-2)14-8-12(4,5)13-11/h6,10-11,13H,7-8H2,1-5H3/b9-6+
InChIKeyZDRZGXWLDSWWFE-RMKNXTFCSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds2

About 3-[(E)-but-2-en-2-yl]-2-ethyl-5,5-dimethylmorpholine

3-[(E)-but-2-en-2-yl]-2-ethyl-5,5-dimethylmorpholine (PubChem CID 15315812) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-[(E)-but-2-en-2-yl]-2-ethyl-5,5-dimethylmorpholine.

Molecular Properties

Compound Name3-[(E)-but-2-en-2-yl]-2-ethyl-5,5-dimethylmorpholine
PubChem CID15315812
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-[(E)-but-2-en-2-yl]-2-ethyl-5,5-dimethylmorpholine
SMILESC/C=C(\C)C1NC(C)(C)COC1CC
InChIInChI=1S/C12H23NO/c1-6-9(3)11-10(7-2)14-8-12(4,5)13-11/h6,10-11,13H,7-8H2,1-5H3/b9-6+
InChIKeyZDRZGXWLDSWWFE-RMKNXTFCSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-Fluorocyclohepta-1,3,6-trien-1-yl)methyl]-5-methylmorpholine
CID 91350994
Crotyl(3-isopropenyl-2-yl)morpholinium bromide
CID 129795383
(1R,5R,6R)-3-methyl-5-pentan-3-yloxy-7-azabicyclo[4.1.0]hept-2-ene
CID 58047989
2-Hept-2-enylmorpholine
CID 68588235
3,4,4a,7,8,8a-hexahydro-2H-1,4-benzoxazine
CID 89427606
2,3-Bis(prop-2-enyl)morpholine
CID 118117583
3-Methoxy-2-methyl-5-methylidenepiperidine
CID 123429567
(2R,3R)-2-methyl-3-[(E)-prop-1-enyl]morpholine
CID 130456753
(2R,3R)-2-methyl-3-(2-methylprop-1-enyl)morpholine
CID 130456760
5-methyl-3,4,4a,5,8,8a-hexahydro-2H-1,4-benzoxazine
CID 134352980
3-But-2-en-2-yl-2,6-dimethylmorpholine
CID 142945371
ethane;3-[(2E,4Z)-hexa-2,4-dien-3-yl]morpholine
CID 145012043

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-but-2-en-2-yl]-2-ethyl-5,5-dimethylmorpholine?
The IUPAC name of 3-[(E)-but-2-en-2-yl]-2-ethyl-5,5-dimethylmorpholine (CID 15315812) is 3-[(E)-but-2-en-2-yl]-2-ethyl-5,5-dimethylmorpholine.
What is the SMILES notation for 3-[(E)-but-2-en-2-yl]-2-ethyl-5,5-dimethylmorpholine?
The canonical SMILES for 3-[(E)-but-2-en-2-yl]-2-ethyl-5,5-dimethylmorpholine is C/C=C(\C)C1NC(C)(C)COC1CC.
What is the InChIKey of 3-[(E)-but-2-en-2-yl]-2-ethyl-5,5-dimethylmorpholine?
The InChIKey is ZDRZGXWLDSWWFE-RMKNXTFCSA-N. The full InChI is InChI=1S/C12H23NO/c1-6-9(3)11-10(7-2)14-8-12(4,5)13-11/h6,10-11,13H,7-8H2,1-5H3/b9-6+.
What are the key properties of 3-[(E)-but-2-en-2-yl]-2-ethyl-5,5-dimethylmorpholine?
3-[(E)-but-2-en-2-yl]-2-ethyl-5,5-dimethylmorpholine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-but-2-en-2-yl]-2-ethyl-5,5-dimethylmorpholine is sourced from PubChem (CID 15315812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).