2-but-3-enyl-2-ethyl-1-methylpyrrolidine

C11H21N — CID 162743087

IUPAC2-but-3-enyl-2-ethyl-1-methylpyrrolidine
SMILESC=CCCC1(CC)CCCN1C
InChIInChI=1S/C11H21N/c1-4-6-8-11(5-2)9-7-10-12(11)3/h4H,1,5-10H2,2-3H3
InChIKeyKQBWQIWGZGABST-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.83
Rot. Bonds4

About 2-but-3-enyl-2-ethyl-1-methylpyrrolidine

2-but-3-enyl-2-ethyl-1-methylpyrrolidine (PubChem CID 162743087) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-but-3-enyl-2-ethyl-1-methylpyrrolidine.

Molecular Properties

Compound Name2-but-3-enyl-2-ethyl-1-methylpyrrolidine
PubChem CID162743087
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-but-3-enyl-2-ethyl-1-methylpyrrolidine
SMILESC=CCCC1(CC)CCCN1C
InChIInChI=1S/C11H21N/c1-4-6-8-11(5-2)9-7-10-12(11)3/h4H,1,5-10H2,2-3H3
InChIKeyKQBWQIWGZGABST-UHFFFAOYSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Pyrrolidine, 1-(1-allylcyclohexyl)-
CID 202079
Pyrrolidine, 1-(1-vinylcyclohexyl)-
CID 203371
(9aR)-8-methyl-9a-(2-methylprop-2-enyl)-1,2,3,5,6,9-hexahydropyrrolo[1,2-a]azepine
CID 58193774
1-Methyl-1-(1-vinylcyclohexyl)pyrrolidinium iodide
CID 3031625
(3R)-1-tert-butyl-3-(1,1-difluoropent-4-enyl)pyrrolidine
CID 151270858
3-But-3-enyl-4-ethyl-1-(2-fluoroethyl)pyrrolidine
CID 166944926
1-(2-Fluoroethyl)-2-methyl-2-prop-2-enylpyrrolidine
CID 166974420
(3R)-1-[(4S)-2-ethyl-4-methylhex-5-enyl]-3-fluoropyrrolidine
CID 167009671
1-(4-Ethenyl-2-ethylhex-5-enyl)-3-fluoropyrrolidine
CID 167009907
2-Ethyl-2-(1-fluoroethenyl)-1-methylpyrrolidine
CID 169130391
(4Z)-2-ethyl-4-(fluoromethylidene)-1-methyl-2-propylpyrrolidine
CID 170622490
(1R)-1-ethyl-2-(2-fluoroethyl)-1,2-dimethyl-3-methylidenepyrrolidin-1-ium
CID 175614657

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-2-ethyl-1-methylpyrrolidine?
The IUPAC name of 2-but-3-enyl-2-ethyl-1-methylpyrrolidine (CID 162743087) is 2-but-3-enyl-2-ethyl-1-methylpyrrolidine.
What is the SMILES notation for 2-but-3-enyl-2-ethyl-1-methylpyrrolidine?
The canonical SMILES for 2-but-3-enyl-2-ethyl-1-methylpyrrolidine is C=CCCC1(CC)CCCN1C.
What is the InChIKey of 2-but-3-enyl-2-ethyl-1-methylpyrrolidine?
The InChIKey is KQBWQIWGZGABST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-4-6-8-11(5-2)9-7-10-12(11)3/h4H,1,5-10H2,2-3H3.
What are the key properties of 2-but-3-enyl-2-ethyl-1-methylpyrrolidine?
2-but-3-enyl-2-ethyl-1-methylpyrrolidine has a molecular weight of 167.30 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-2-ethyl-1-methylpyrrolidine is sourced from PubChem (CID 162743087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).