1-methyl-3-(2-methylprop-2-enyl)pyrrolidine

C9H17N — CID 58433198

IUPAC1-methyl-3-(2-methylprop-2-enyl)pyrrolidine
SMILESC=C(C)CC1CCN(C)C1
InChIInChI=1S/C9H17N/c1-8(2)6-9-4-5-10(3)7-9/h9H,1,4-7H2,2-3H3
InChIKeyDAGHDFWYVYOLKY-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.90
Rot. Bonds2

About 1-methyl-3-(2-methylprop-2-enyl)pyrrolidine

1-methyl-3-(2-methylprop-2-enyl)pyrrolidine (PubChem CID 58433198) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1-methyl-3-(2-methylprop-2-enyl)pyrrolidine.

Molecular Properties

Compound Name1-methyl-3-(2-methylprop-2-enyl)pyrrolidine
PubChem CID58433198
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1-methyl-3-(2-methylprop-2-enyl)pyrrolidine
SMILESC=C(C)CC1CCN(C)C1
InChIInChI=1S/C9H17N/c1-8(2)6-9-4-5-10(3)7-9/h9H,1,4-7H2,2-3H3
InChIKeyDAGHDFWYVYOLKY-UHFFFAOYSA-N
XLogP1.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methyl-3-(2-methylprop-2-enyl)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-methyl-3-(2-methylprop-2-enyl)pyrrolidine?
The IUPAC name of 1-methyl-3-(2-methylprop-2-enyl)pyrrolidine (CID 58433198) is 1-methyl-3-(2-methylprop-2-enyl)pyrrolidine.
What is the SMILES notation for 1-methyl-3-(2-methylprop-2-enyl)pyrrolidine?
The canonical SMILES for 1-methyl-3-(2-methylprop-2-enyl)pyrrolidine is C=C(C)CC1CCN(C)C1.
What is the InChIKey of 1-methyl-3-(2-methylprop-2-enyl)pyrrolidine?
The InChIKey is DAGHDFWYVYOLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-8(2)6-9-4-5-10(3)7-9/h9H,1,4-7H2,2-3H3.
What are the key properties of 1-methyl-3-(2-methylprop-2-enyl)pyrrolidine?
1-methyl-3-(2-methylprop-2-enyl)pyrrolidine has a molecular weight of 139.24 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylprop-2-enyl)pyrrolidine is sourced from PubChem (CID 58433198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).