ethane;2-[[(E)-2-ethenylbut-2-enoxy]methyl]morpholine

C13H25NO2 — CID 145311783

IUPACethane;2-[[(E)-2-ethenylbut-2-enoxy]methyl]morpholine
SMILESC=C/C(=C\C)COCC1CNCCO1.CC
InChIInChI=1S/C11H19NO2.C2H6/c1-3-10(4-2)8-13-9-11-7-12-5-6-14-11;1-2/h3-4,11-12H,1,5-9H2,2H3;1-2H3/b10-4+;
InChIKeyBNYJLKNLNSSCPE-FCVRUTMISA-N
MW227.35 g/mol
LogP2.15
Rot. Bonds5

About ethane;2-[[(E)-2-ethenylbut-2-enoxy]methyl]morpholine

ethane;2-[[(E)-2-ethenylbut-2-enoxy]methyl]morpholine (PubChem CID 145311783) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is ethane;2-[[(E)-2-ethenylbut-2-enoxy]methyl]morpholine.

Molecular Properties

Compound Nameethane;2-[[(E)-2-ethenylbut-2-enoxy]methyl]morpholine
PubChem CID145311783
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nameethane;2-[[(E)-2-ethenylbut-2-enoxy]methyl]morpholine
SMILESC=C/C(=C\C)COCC1CNCCO1.CC
InChIInChI=1S/C11H19NO2.C2H6/c1-3-10(4-2)8-13-9-11-7-12-5-6-14-11;1-2/h3-4,11-12H,1,5-9H2,2H3;1-2H3/b10-4+;
InChIKeyBNYJLKNLNSSCPE-FCVRUTMISA-N
XLogP2.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-Methoxyprop-2-enyl)morpholine
CID 70497060
2-Hexa-1,3,5-trien-3-yl-6-methylmorpholine
CID 123662227
(2S,5S)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-methylmorpholine
CID 129015398
(2S,5S)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-methylmorpholine
CID 135130030
2-[[(Z,1E)-1-(2-methylidenecyclopentylidene)but-2-enoxy]methyl]morpholine
CID 141814244
(2S)-2-[(1S,2E,4Z)-1-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]oxy-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]morpholine
CID 143095938
2-Cyclohexa-1,5-dien-1-ylmorpholine;propane
CID 143800418
(2R)-2-cyclohexa-1,5-dien-1-ylmorpholine;ethane
CID 143800436
(2R)-2-cyclohexa-1,5-dien-1-ylmorpholine;propane
CID 143800485
(2R)-2-cyclohexa-1,5-dien-1-ylmorpholine;methanamine
CID 143800491
2-[(2-Ethoxycyclohexa-1,3-dien-1-yl)oxymethyl]morpholine
CID 144264917
ethane;(2S,5S)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-methylmorpholine
CID 144284166

Frequently Asked Questions

What is the IUPAC name of ethane;2-[[(E)-2-ethenylbut-2-enoxy]methyl]morpholine?
The IUPAC name of ethane;2-[[(E)-2-ethenylbut-2-enoxy]methyl]morpholine (CID 145311783) is ethane;2-[[(E)-2-ethenylbut-2-enoxy]methyl]morpholine.
What is the SMILES notation for ethane;2-[[(E)-2-ethenylbut-2-enoxy]methyl]morpholine?
The canonical SMILES for ethane;2-[[(E)-2-ethenylbut-2-enoxy]methyl]morpholine is C=C/C(=C\C)COCC1CNCCO1.CC.
What is the InChIKey of ethane;2-[[(E)-2-ethenylbut-2-enoxy]methyl]morpholine?
The InChIKey is BNYJLKNLNSSCPE-FCVRUTMISA-N. The full InChI is InChI=1S/C11H19NO2.C2H6/c1-3-10(4-2)8-13-9-11-7-12-5-6-14-11;1-2/h3-4,11-12H,1,5-9H2,2H3;1-2H3/b10-4+;.
What are the key properties of ethane;2-[[(E)-2-ethenylbut-2-enoxy]methyl]morpholine?
ethane;2-[[(E)-2-ethenylbut-2-enoxy]methyl]morpholine has a molecular weight of 227.35 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[[(E)-2-ethenylbut-2-enoxy]methyl]morpholine is sourced from PubChem (CID 145311783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).