1-[2-[(E)-3-ethylpent-3-enoxy]ethyl]pyrrolidine

C13H25NO — CID 142237083

IUPAC1-[2-[(E)-3-ethylpent-3-enoxy]ethyl]pyrrolidine
SMILESC/C=C(\CC)CCOCCN1CCCC1
InChIInChI=1S/C13H25NO/c1-3-13(4-2)7-11-15-12-10-14-8-5-6-9-14/h3H,4-12H2,1-2H3/b13-3+
InChIKeyYRLAZPZRYKJDQA-QLKAYGNNSA-N
MW211.35 g/mol
LogP2.85
Rot. Bonds7

About 1-[2-[(E)-3-ethylpent-3-enoxy]ethyl]pyrrolidine

1-[2-[(E)-3-ethylpent-3-enoxy]ethyl]pyrrolidine (PubChem CID 142237083) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-[2-[(E)-3-ethylpent-3-enoxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[(E)-3-ethylpent-3-enoxy]ethyl]pyrrolidine
PubChem CID142237083
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-[2-[(E)-3-ethylpent-3-enoxy]ethyl]pyrrolidine
SMILESC/C=C(\CC)CCOCCN1CCCC1
InChIInChI=1S/C13H25NO/c1-3-13(4-2)7-11-15-12-10-14-8-5-6-9-14/h3H,4-12H2,1-2H3/b13-3+
InChIKeyYRLAZPZRYKJDQA-QLKAYGNNSA-N
XLogP2.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyethyl)piperidine
CID 22622871
1-[(E)-2-ethylbut-2-enyl]pyrrolidine
CID 70169991
2-(2-pyrrolidin-1-ylethoxy)ethanol
CID 10080651
4-methyl-1-(2-piperidin-1-ylethoxy)pentan-3-one
CID 176984393
N-methyl-2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethanamine
CID 58701501
2-(2-pyrrolidin-1-ylethoxy)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]ethanamine
CID 118891597
1,4,8,11-tetrakis(2-ethoxyethyl)-1,4,8,11-tetrazacyclotetradecane
CID 10529041
1-[3-(2-ethoxyethoxy)propyl]pyrrolidine
CID 58400633
1-[2-(2,2-dimethylbutoxy)ethyl]azocane
CID 175617991
1-[2-(2-decoxyethoxy)ethyl]piperidine
CID 175686195
1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 134364578
ethane;N-methyl-5-[3-(2-piperidin-1-ylethoxy)propoxy]pentanamide
CID 142391107

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-3-ethylpent-3-enoxy]ethyl]pyrrolidine?
The IUPAC name of 1-[2-[(E)-3-ethylpent-3-enoxy]ethyl]pyrrolidine (CID 142237083) is 1-[2-[(E)-3-ethylpent-3-enoxy]ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[(E)-3-ethylpent-3-enoxy]ethyl]pyrrolidine?
The canonical SMILES for 1-[2-[(E)-3-ethylpent-3-enoxy]ethyl]pyrrolidine is C/C=C(\CC)CCOCCN1CCCC1.
What is the InChIKey of 1-[2-[(E)-3-ethylpent-3-enoxy]ethyl]pyrrolidine?
The InChIKey is YRLAZPZRYKJDQA-QLKAYGNNSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-13(4-2)7-11-15-12-10-14-8-5-6-9-14/h3H,4-12H2,1-2H3/b13-3+.
What are the key properties of 1-[2-[(E)-3-ethylpent-3-enoxy]ethyl]pyrrolidine?
1-[2-[(E)-3-ethylpent-3-enoxy]ethyl]pyrrolidine has a molecular weight of 211.35 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-3-ethylpent-3-enoxy]ethyl]pyrrolidine is sourced from PubChem (CID 142237083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).