1,2-dimethylpyrrolidine;2-methylbut-2-ene

C11H23N — CID 174662034

IUPAC1,2-dimethylpyrrolidine;2-methylbut-2-ene
SMILESCC1CCCN1C.CC=C(C)C
InChIInChI=1S/C6H13N.C5H10/c1-6-4-3-5-7(6)2;1-4-5(2)3/h6H,3-5H2,1-2H3;4H,1-3H3
InChIKeyWMPMBZGBLONYKH-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.07
Rot. Bonds

About 1,2-dimethylpyrrolidine;2-methylbut-2-ene

1,2-dimethylpyrrolidine;2-methylbut-2-ene (PubChem CID 174662034) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 1,2-dimethylpyrrolidine;2-methylbut-2-ene.

Molecular Properties

Compound Name1,2-dimethylpyrrolidine;2-methylbut-2-ene
PubChem CID174662034
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name1,2-dimethylpyrrolidine;2-methylbut-2-ene
SMILESCC1CCCN1C.CC=C(C)C
InChIInChI=1S/C6H13N.C5H10/c1-6-4-3-5-7(6)2;1-4-5(2)3/h6H,3-5H2,1-2H3;4H,1-3H3
InChIKeyWMPMBZGBLONYKH-UHFFFAOYSA-N
XLogP3.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.07
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

1,2-dimethylpyrrolidine;methanol
CID 158560912
azane;1,2-dimethylpyrrolidine;hydroiodide
CID 173111970
1,2-dimethyl-azacyclotetradecane
CID 70834681
1,2-dimethyl-azacyclododecane
CID 70316000
1,2-dimethylpyrrolidine;methanesulfonic acid
CID 174719075
1,2-dimethylpyrrolidine;methyl(oxo)phosphanium
CID 173453320
1,2-dimethylpiperidine;ethane;1,2,6-trimethylpiperidine
CID 142886839
(4R,7R)-1,7-dimethylazepan-4-ol
CID 167089908
1-methylpiperidine-2,3-diol
CID 67912699
3-methyl-1-(1-methylpyrrolidin-2-yl)but-2-en-1-one
CID 59758776
1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;methane;1-methylpiperidine
CID 161233752
(2R)-1,2-dimethylpyrrolidine;ethane;methanol;methyl pyrrolidine-1-carboxylate
CID 170572335

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpyrrolidine;2-methylbut-2-ene?
The IUPAC name of 1,2-dimethylpyrrolidine;2-methylbut-2-ene (CID 174662034) is 1,2-dimethylpyrrolidine;2-methylbut-2-ene.
What is the SMILES notation for 1,2-dimethylpyrrolidine;2-methylbut-2-ene?
The canonical SMILES for 1,2-dimethylpyrrolidine;2-methylbut-2-ene is CC1CCCN1C.CC=C(C)C.
What is the InChIKey of 1,2-dimethylpyrrolidine;2-methylbut-2-ene?
The InChIKey is WMPMBZGBLONYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C5H10/c1-6-4-3-5-7(6)2;1-4-5(2)3/h6H,3-5H2,1-2H3;4H,1-3H3.
What are the key properties of 1,2-dimethylpyrrolidine;2-methylbut-2-ene?
1,2-dimethylpyrrolidine;2-methylbut-2-ene has a molecular weight of 169.31 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpyrrolidine;2-methylbut-2-ene is sourced from PubChem (CID 174662034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).