1-(2,4-dimethylpent-2-en-3-yl)pyrrolidine

C11H21N — CID 637942

IUPAC1-(2,4-dimethylpent-2-en-3-yl)pyrrolidine
SMILESCC(C)=C(C(C)C)N1CCCC1
InChIInChI=1S/C11H21N/c1-9(2)11(10(3)4)12-7-5-6-8-12/h9H,5-8H2,1-4H3
InChIKeyPJHUSTUQFBPPKG-UHFFFAOYSA-N
MW167.30 g/mol
LogP3.03
Rot. Bonds2

About 1-(2,4-dimethylpent-2-en-3-yl)pyrrolidine

1-(2,4-dimethylpent-2-en-3-yl)pyrrolidine (PubChem CID 637942) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-(2,4-dimethylpent-2-en-3-yl)pyrrolidine.

Molecular Properties

Compound Name1-(2,4-dimethylpent-2-en-3-yl)pyrrolidine
PubChem CID637942
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-(2,4-dimethylpent-2-en-3-yl)pyrrolidine
SMILESCC(C)=C(C(C)C)N1CCCC1
InChIInChI=1S/C11H21N/c1-9(2)11(10(3)4)12-7-5-6-8-12/h9H,5-8H2,1-4H3
InChIKeyPJHUSTUQFBPPKG-UHFFFAOYSA-N
XLogP3.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2,4-dimethylpent-2-en-3-yl)pyrrolidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpent-2-en-3-yl)pyrrolidine?
The IUPAC name of 1-(2,4-dimethylpent-2-en-3-yl)pyrrolidine (CID 637942) is 1-(2,4-dimethylpent-2-en-3-yl)pyrrolidine.
What is the SMILES notation for 1-(2,4-dimethylpent-2-en-3-yl)pyrrolidine?
The canonical SMILES for 1-(2,4-dimethylpent-2-en-3-yl)pyrrolidine is CC(C)=C(C(C)C)N1CCCC1.
What is the InChIKey of 1-(2,4-dimethylpent-2-en-3-yl)pyrrolidine?
The InChIKey is PJHUSTUQFBPPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-9(2)11(10(3)4)12-7-5-6-8-12/h9H,5-8H2,1-4H3.
What are the key properties of 1-(2,4-dimethylpent-2-en-3-yl)pyrrolidine?
1-(2,4-dimethylpent-2-en-3-yl)pyrrolidine has a molecular weight of 167.30 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpent-2-en-3-yl)pyrrolidine is sourced from PubChem (CID 637942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).