1-but-1-en-2-yl-2-ethyl-3-methylpyrrolidine;ethane

C13H27N — CID 177054111

IUPAC1-but-1-en-2-yl-2-ethyl-3-methylpyrrolidine;ethane
SMILESC=C(CC)N1CCC(C)C1CC.CC
InChIInChI=1S/C11H21N.C2H6/c1-5-10(4)12-8-7-9(3)11(12)6-2;1-2/h9,11H,4-8H2,1-3H3;1-2H3
InChIKeyBGGPTEKVGJWXJI-UHFFFAOYSA-N
MW197.37 g/mol
LogP4.06
Rot. Bonds3

About 1-but-1-en-2-yl-2-ethyl-3-methylpyrrolidine;ethane

1-but-1-en-2-yl-2-ethyl-3-methylpyrrolidine;ethane (PubChem CID 177054111) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1-but-1-en-2-yl-2-ethyl-3-methylpyrrolidine;ethane.

Molecular Properties

Compound Name1-but-1-en-2-yl-2-ethyl-3-methylpyrrolidine;ethane
PubChem CID177054111
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1-but-1-en-2-yl-2-ethyl-3-methylpyrrolidine;ethane
SMILESC=C(CC)N1CCC(C)C1CC.CC
InChIInChI=1S/C11H21N.C2H6/c1-5-10(4)12-8-7-9(3)11(12)6-2;1-2/h9,11H,4-8H2,1-3H3;1-2H3
InChIKeyBGGPTEKVGJWXJI-UHFFFAOYSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-but-1-en-2-yl-2-ethyl-3-methylpyrrolidine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-3-methyl-1-prop-1-en-2-ylpyrrolidine
CID 170768549
tert-butyl (2R,3S)-2-ethyl-3-methylpyrrolidine-1-carboxylate
CID 170139098
1-(2-ethyl-3-methylpyrrolidin-1-yl)prop-2-yn-1-one
CID 130676362
(2R)-1-but-1-en-2-yl-2-methylpyrrolidine
CID 134863512
1-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102787949
3-[(2-ethyl-3-methylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 122017839
1,2-diethyl-3-methylpyrrolidine;hydrofluoride
CID 175583958
2-(2-ethyl-3-methylpyrrolidin-1-yl)propan-1-ol
CID 127007454
1-(2-ethyl-3-methylpyrrolidin-1-yl)-2-methylpropan-2-ol
CID 130683657
cyclopropyl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738013
2-(bromomethyl)-1,3-dimethylpyrrolidine
CID 102785593
1-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 102788139

Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-2-ethyl-3-methylpyrrolidine;ethane?
The IUPAC name of 1-but-1-en-2-yl-2-ethyl-3-methylpyrrolidine;ethane (CID 177054111) is 1-but-1-en-2-yl-2-ethyl-3-methylpyrrolidine;ethane.
What is the SMILES notation for 1-but-1-en-2-yl-2-ethyl-3-methylpyrrolidine;ethane?
The canonical SMILES for 1-but-1-en-2-yl-2-ethyl-3-methylpyrrolidine;ethane is C=C(CC)N1CCC(C)C1CC.CC.
What is the InChIKey of 1-but-1-en-2-yl-2-ethyl-3-methylpyrrolidine;ethane?
The InChIKey is BGGPTEKVGJWXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.C2H6/c1-5-10(4)12-8-7-9(3)11(12)6-2;1-2/h9,11H,4-8H2,1-3H3;1-2H3.
What are the key properties of 1-but-1-en-2-yl-2-ethyl-3-methylpyrrolidine;ethane?
1-but-1-en-2-yl-2-ethyl-3-methylpyrrolidine;ethane has a molecular weight of 197.37 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-2-ethyl-3-methylpyrrolidine;ethane is sourced from PubChem (CID 177054111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).