2-(2-methylprop-2-enyl)-1-propan-2-ylpyrrolidine

C11H21N — CID 129272851

IUPAC2-(2-methylprop-2-enyl)-1-propan-2-ylpyrrolidine
SMILESC=C(C)CC1CCCN1C(C)C
InChIInChI=1S/C11H21N/c1-9(2)8-11-6-5-7-12(11)10(3)4/h10-11H,1,5-8H2,2-4H3
InChIKeyUGYQBUBOYVRDAO-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.83
Rot. Bonds3

About 2-(2-methylprop-2-enyl)-1-propan-2-ylpyrrolidine

2-(2-methylprop-2-enyl)-1-propan-2-ylpyrrolidine (PubChem CID 129272851) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)-1-propan-2-ylpyrrolidine
PubChem CID129272851
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-(2-methylprop-2-enyl)-1-propan-2-ylpyrrolidine
SMILESC=C(C)CC1CCCN1C(C)C
InChIInChI=1S/C11H21N/c1-9(2)8-11-6-5-7-12(11)10(3)4/h10-11H,1,5-8H2,2-4H3
InChIKeyUGYQBUBOYVRDAO-UHFFFAOYSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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'}

Analyze 2-(2-methylprop-2-enyl)-1-propan-2-ylpyrrolidine 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 2-(2-methylprop-2-enyl)-1-propan-2-ylpyrrolidine?
The IUPAC name of 2-(2-methylprop-2-enyl)-1-propan-2-ylpyrrolidine (CID 129272851) is 2-(2-methylprop-2-enyl)-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-(2-methylprop-2-enyl)-1-propan-2-ylpyrrolidine?
The canonical SMILES for 2-(2-methylprop-2-enyl)-1-propan-2-ylpyrrolidine is C=C(C)CC1CCCN1C(C)C.
What is the InChIKey of 2-(2-methylprop-2-enyl)-1-propan-2-ylpyrrolidine?
The InChIKey is UGYQBUBOYVRDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-9(2)8-11-6-5-7-12(11)10(3)4/h10-11H,1,5-8H2,2-4H3.
What are the key properties of 2-(2-methylprop-2-enyl)-1-propan-2-ylpyrrolidine?
2-(2-methylprop-2-enyl)-1-propan-2-ylpyrrolidine has a molecular weight of 167.30 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enyl)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 129272851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).