2-(1,4-dimethoxy-2-methylpent-4-enyl)pyrrolidine

C12H23NO2 — CID 134421874

IUPAC2-(1,4-dimethoxy-2-methylpent-4-enyl)pyrrolidine
SMILESC=C(CC(C)C(OC)C1CCCN1)OC
InChIInChI=1S/C12H23NO2/c1-9(8-10(2)14-3)12(15-4)11-6-5-7-13-11/h9,11-13H,2,5-8H2,1,3-4H3
InChIKeyXPMKFRJKDYMSPG-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.94
Rot. Bonds6

About 2-(1,4-dimethoxy-2-methylpent-4-enyl)pyrrolidine

2-(1,4-dimethoxy-2-methylpent-4-enyl)pyrrolidine (PubChem CID 134421874) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(1,4-dimethoxy-2-methylpent-4-enyl)pyrrolidine.

Molecular Properties

Compound Name2-(1,4-dimethoxy-2-methylpent-4-enyl)pyrrolidine
PubChem CID134421874
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-(1,4-dimethoxy-2-methylpent-4-enyl)pyrrolidine
SMILESC=C(CC(C)C(OC)C1CCCN1)OC
InChIInChI=1S/C12H23NO2/c1-9(8-10(2)14-3)12(15-4)11-6-5-7-13-11/h9,11-13H,2,5-8H2,1,3-4H3
InChIKeyXPMKFRJKDYMSPG-UHFFFAOYSA-N
XLogP1.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-(1,4-dimethoxy-2-methylpent-4-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 2-(1,4-dimethoxy-2-methylpent-4-enyl)pyrrolidine?
The IUPAC name of 2-(1,4-dimethoxy-2-methylpent-4-enyl)pyrrolidine (CID 134421874) is 2-(1,4-dimethoxy-2-methylpent-4-enyl)pyrrolidine.
What is the SMILES notation for 2-(1,4-dimethoxy-2-methylpent-4-enyl)pyrrolidine?
The canonical SMILES for 2-(1,4-dimethoxy-2-methylpent-4-enyl)pyrrolidine is C=C(CC(C)C(OC)C1CCCN1)OC.
What is the InChIKey of 2-(1,4-dimethoxy-2-methylpent-4-enyl)pyrrolidine?
The InChIKey is XPMKFRJKDYMSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(8-10(2)14-3)12(15-4)11-6-5-7-13-11/h9,11-13H,2,5-8H2,1,3-4H3.
What are the key properties of 2-(1,4-dimethoxy-2-methylpent-4-enyl)pyrrolidine?
2-(1,4-dimethoxy-2-methylpent-4-enyl)pyrrolidine has a molecular weight of 213.32 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethoxy-2-methylpent-4-enyl)pyrrolidine is sourced from PubChem (CID 134421874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).