ethane;methoxymethane;1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine

C14H31NO — CID 164922368

IUPACethane;methoxymethane;1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine
SMILESCC.CC(C)/C=C/C1CCCN1C.COC
InChIInChI=1S/C10H19N.C2H6O.C2H6/c1-9(2)6-7-10-5-4-8-11(10)3;1-3-2;1-2/h6-7,9-10H,4-5,8H2,1-3H3;1-2H3;1-2H3/b7-6+;;
InChIKeyQSLIKQIYRVISDL-KMXZHCNGSA-N
MW229.41 g/mol
LogP3.58
Rot. Bonds2

About ethane;methoxymethane;1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine

ethane;methoxymethane;1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine (PubChem CID 164922368) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is ethane;methoxymethane;1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine.

Molecular Properties

Compound Nameethane;methoxymethane;1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine
PubChem CID164922368
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Nameethane;methoxymethane;1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine
SMILESCC.CC(C)/C=C/C1CCCN1C.COC
InChIInChI=1S/C10H19N.C2H6O.C2H6/c1-9(2)6-7-10-5-4-8-11(10)3;1-3-2;1-2/h6-7,9-10H,4-5,8H2,1-3H3;1-2H3;1-2H3/b7-6+;;
InChIKeyQSLIKQIYRVISDL-KMXZHCNGSA-N
XLogP3.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-1-methyl-2-[(E)-3-methylpent-1-enyl]pyrrolidine
CID 164922218
1-(2-fluoroethyl)-2-[(E)-3-methylbut-1-enyl]pyrrolidine
CID 164922377
4-fluoro-1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine
CID 164922390
(4R)-4-fluoro-1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine
CID 164922818
2-(2-Methylprop-1-en-1-yl)-1-propylpyrrolidine
CID 13181245
N-2-pentenyl-2-methylpyrrolidine
CID 129868746
2-[(Z)-prop-1-enyl]-1-propylpyrrolidine
CID 134902086
2-[(Z)-2-methylbut-1-enyl]-1-propylpyrrolidine
CID 134902087
2-[(Z)-but-1-enyl]-1-propylpyrrolidine
CID 134981079
1-[(Z)-2-methylhex-4-en-3-yl]pyrrolidine
CID 12749028
1-methyl-2-[(E)-prop-1-enyl]pyrrolidine
CID 20769377
1-Methyl-2-prop-1-enylpyrrolidine
CID 53665536

Frequently Asked Questions

What is the IUPAC name of ethane;methoxymethane;1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine?
The IUPAC name of ethane;methoxymethane;1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine (CID 164922368) is ethane;methoxymethane;1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine.
What is the SMILES notation for ethane;methoxymethane;1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine?
The canonical SMILES for ethane;methoxymethane;1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine is CC.CC(C)/C=C/C1CCCN1C.COC.
What is the InChIKey of ethane;methoxymethane;1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine?
The InChIKey is QSLIKQIYRVISDL-KMXZHCNGSA-N. The full InChI is InChI=1S/C10H19N.C2H6O.C2H6/c1-9(2)6-7-10-5-4-8-11(10)3;1-3-2;1-2/h6-7,9-10H,4-5,8H2,1-3H3;1-2H3;1-2H3/b7-6+;;.
What are the key properties of ethane;methoxymethane;1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine?
ethane;methoxymethane;1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine has a molecular weight of 229.41 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methoxymethane;1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine is sourced from PubChem (CID 164922368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).