ethane;4-[(E)-2-ethenylbut-2-enyl]-2-methylmorpholine

C13H25NO — CID 143639610

IUPACethane;4-[(E)-2-ethenylbut-2-enyl]-2-methylmorpholine
SMILESC=C/C(=C\C)CN1CCOC(C)C1.CC
InChIInChI=1S/C11H19NO.C2H6/c1-4-11(5-2)9-12-6-7-13-10(3)8-12;1-2/h4-5,10H,1,6-9H2,2-3H3;1-2H3/b11-5+;
InChIKeyYTKMGRWGSQBTRJ-HMXKFKBXSA-N
MW211.35 g/mol
LogP2.87
Rot. Bonds3

About ethane;4-[(E)-2-ethenylbut-2-enyl]-2-methylmorpholine

ethane;4-[(E)-2-ethenylbut-2-enyl]-2-methylmorpholine (PubChem CID 143639610) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is ethane;4-[(E)-2-ethenylbut-2-enyl]-2-methylmorpholine.

Molecular Properties

Compound Nameethane;4-[(E)-2-ethenylbut-2-enyl]-2-methylmorpholine
PubChem CID143639610
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Nameethane;4-[(E)-2-ethenylbut-2-enyl]-2-methylmorpholine
SMILESC=C/C(=C\C)CN1CCOC(C)C1.CC
InChIInChI=1S/C11H19NO.C2H6/c1-4-11(5-2)9-12-6-7-13-10(3)8-12;1-2/h4-5,10H,1,6-9H2,2-3H3;1-2H3/b11-5+;
InChIKeyYTKMGRWGSQBTRJ-HMXKFKBXSA-N
XLogP2.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(1E,3E)-2-methylpenta-1,3-dienyl]morpholine
CID 10855873
(e)-4-(2-Methyl-6-methyleneocta-2,7-dien-1-yl)morpholine
CID 137797148
(z)-4-(2-Methyl-6-methyleneocta-2,7-dien-1-yl)morpholine
CID 137797149
4-(2-Methylene-3-buten-1-yl)morpholine
CID 45122839
4-(3-Methyl-2-methylidenebut-3-en-1-yl)morpholine
CID 12933365
4-[(3Z)-3-methylpenta-1,3-dien-2-yl]morpholine
CID 134830691
4-[(2E,4Z,6E)-7-fluoro-5-methylhepta-2,4,6-trien-2-yl]-2,6-dimethylmorpholine
CID 144055899
4-[(2E,5E)-2-methylhepta-2,5-dienyl]morpholine
CID 12485221
4-[(2E)-2,6-dimethylhepta-2,5-dienyl]morpholine
CID 12485225
4-(2-Methyl-2-buten-1-yl)morpholine
CID 15727621
4-(Cyclohexa-1,5-dien-1-ylmethyl)morpholine
CID 19738009
4-Allyl-2,6-dimethylmorpholine
CID 19920057

Frequently Asked Questions

What is the IUPAC name of ethane;4-[(E)-2-ethenylbut-2-enyl]-2-methylmorpholine?
The IUPAC name of ethane;4-[(E)-2-ethenylbut-2-enyl]-2-methylmorpholine (CID 143639610) is ethane;4-[(E)-2-ethenylbut-2-enyl]-2-methylmorpholine.
What is the SMILES notation for ethane;4-[(E)-2-ethenylbut-2-enyl]-2-methylmorpholine?
The canonical SMILES for ethane;4-[(E)-2-ethenylbut-2-enyl]-2-methylmorpholine is C=C/C(=C\C)CN1CCOC(C)C1.CC.
What is the InChIKey of ethane;4-[(E)-2-ethenylbut-2-enyl]-2-methylmorpholine?
The InChIKey is YTKMGRWGSQBTRJ-HMXKFKBXSA-N. The full InChI is InChI=1S/C11H19NO.C2H6/c1-4-11(5-2)9-12-6-7-13-10(3)8-12;1-2/h4-5,10H,1,6-9H2,2-3H3;1-2H3/b11-5+;.
What are the key properties of ethane;4-[(E)-2-ethenylbut-2-enyl]-2-methylmorpholine?
ethane;4-[(E)-2-ethenylbut-2-enyl]-2-methylmorpholine has a molecular weight of 211.35 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(E)-2-ethenylbut-2-enyl]-2-methylmorpholine is sourced from PubChem (CID 143639610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).