1-(2-methoxyethyl)-2-[(E)-3-methylbut-1-enyl]pyrrolidine

C12H23NO — CID 164922181

IUPAC1-(2-methoxyethyl)-2-[(E)-3-methylbut-1-enyl]pyrrolidine
SMILESCOCCN1CCCC1/C=C/C(C)C
InChIInChI=1S/C12H23NO/c1-11(2)6-7-12-5-4-8-13(12)9-10-14-3/h6-7,11-12H,4-5,8-10H2,1-3H3/b7-6+
InChIKeyHJWMVEHXKFOPHK-VOTSOKGWSA-N
MW197.32 g/mol
LogP2.31
Rot. Bonds5

About 1-(2-methoxyethyl)-2-[(E)-3-methylbut-1-enyl]pyrrolidine

1-(2-methoxyethyl)-2-[(E)-3-methylbut-1-enyl]pyrrolidine (PubChem CID 164922181) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-[(E)-3-methylbut-1-enyl]pyrrolidine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-[(E)-3-methylbut-1-enyl]pyrrolidine
PubChem CID164922181
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(2-methoxyethyl)-2-[(E)-3-methylbut-1-enyl]pyrrolidine
SMILESCOCCN1CCCC1/C=C/C(C)C
InChIInChI=1S/C12H23NO/c1-11(2)6-7-12-5-4-8-13(12)9-10-14-3/h6-7,11-12H,4-5,8-10H2,1-3H3/b7-6+
InChIKeyHJWMVEHXKFOPHK-VOTSOKGWSA-N
XLogP2.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.31
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

Hipzjvzlcdaihx-qpjjxvbhsa-
CID 13464679
(2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine
CID 12062258
2-(Methoxymethyl)-1,5-di(propan-2-yl)-2,5-dihydropyrrole
CID 58778682
4-Methyl-2-(6-methylhept-5-en-2-yl)-3-propan-2-yl-1,3-oxazolidine
CID 59085426
4-Methoxy-1-methyl-2-prop-1-enylpyrrolidine
CID 59936400
4-[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]-1-methyl-3,6-dihydro-2H-pyridine
CID 130357098
2-Ethoxy-1,2,3,5,6,8a-hexahydroindolizine
CID 139928311
(2S)-1-(cyclohexa-2,4-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine
CID 143093350
N-ethyl-2-methoxy-N-[(4-methylcyclopent-2-en-1-yl)methyl]ethanamine
CID 144121498
Ethane;2-ethenyl-1-(2-methoxyethyl)pyrrolidine
CID 164921992
2-[(E)-3,3-dimethylbut-1-enyl]-4-methoxy-1-methylpyrrolidine
CID 164922206
2-[(E)-but-1-enyl]-4-methoxy-1-methylpyrrolidine
CID 164922342

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-[(E)-3-methylbut-1-enyl]pyrrolidine?
The IUPAC name of 1-(2-methoxyethyl)-2-[(E)-3-methylbut-1-enyl]pyrrolidine (CID 164922181) is 1-(2-methoxyethyl)-2-[(E)-3-methylbut-1-enyl]pyrrolidine.
What is the SMILES notation for 1-(2-methoxyethyl)-2-[(E)-3-methylbut-1-enyl]pyrrolidine?
The canonical SMILES for 1-(2-methoxyethyl)-2-[(E)-3-methylbut-1-enyl]pyrrolidine is COCCN1CCCC1/C=C/C(C)C.
What is the InChIKey of 1-(2-methoxyethyl)-2-[(E)-3-methylbut-1-enyl]pyrrolidine?
The InChIKey is HJWMVEHXKFOPHK-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2)6-7-12-5-4-8-13(12)9-10-14-3/h6-7,11-12H,4-5,8-10H2,1-3H3/b7-6+.
What are the key properties of 1-(2-methoxyethyl)-2-[(E)-3-methylbut-1-enyl]pyrrolidine?
1-(2-methoxyethyl)-2-[(E)-3-methylbut-1-enyl]pyrrolidine has a molecular weight of 197.32 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-[(E)-3-methylbut-1-enyl]pyrrolidine is sourced from PubChem (CID 164922181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).