4-chloro-1-(2-methoxypropyl)-3,3-dimethylpyrrolidine

C10H20ClNO — CID 130863604

IUPAC4-chloro-1-(2-methoxypropyl)-3,3-dimethylpyrrolidine
SMILESCOC(C)CN1CC(Cl)C(C)(C)C1
InChIInChI=1S/C10H20ClNO/c1-8(13-4)5-12-6-9(11)10(2,3)7-12/h8-9H,5-7H2,1-4H3
InChIKeyYOQWVUIHKIVSRG-UHFFFAOYSA-N
MW205.73 g/mol
LogP1.97
Rot. Bonds3

About 4-chloro-1-(2-methoxypropyl)-3,3-dimethylpyrrolidine

4-chloro-1-(2-methoxypropyl)-3,3-dimethylpyrrolidine (PubChem CID 130863604) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 4-chloro-1-(2-methoxypropyl)-3,3-dimethylpyrrolidine.

Molecular Properties

Compound Name4-chloro-1-(2-methoxypropyl)-3,3-dimethylpyrrolidine
PubChem CID130863604
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name4-chloro-1-(2-methoxypropyl)-3,3-dimethylpyrrolidine
SMILESCOC(C)CN1CC(Cl)C(C)(C)C1
InChIInChI=1S/C10H20ClNO/c1-8(13-4)5-12-6-9(11)10(2,3)7-12/h8-9H,5-7H2,1-4H3
InChIKeyYOQWVUIHKIVSRG-UHFFFAOYSA-N
XLogP1.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-1-(2-methoxypropyl)-3,3-dimethylpyrrolidine 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 4-chloro-1-(2-methoxypropyl)-3,3-dimethylpyrrolidine?
The IUPAC name of 4-chloro-1-(2-methoxypropyl)-3,3-dimethylpyrrolidine (CID 130863604) is 4-chloro-1-(2-methoxypropyl)-3,3-dimethylpyrrolidine.
What is the SMILES notation for 4-chloro-1-(2-methoxypropyl)-3,3-dimethylpyrrolidine?
The canonical SMILES for 4-chloro-1-(2-methoxypropyl)-3,3-dimethylpyrrolidine is COC(C)CN1CC(Cl)C(C)(C)C1.
What is the InChIKey of 4-chloro-1-(2-methoxypropyl)-3,3-dimethylpyrrolidine?
The InChIKey is YOQWVUIHKIVSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-8(13-4)5-12-6-9(11)10(2,3)7-12/h8-9H,5-7H2,1-4H3.
What are the key properties of 4-chloro-1-(2-methoxypropyl)-3,3-dimethylpyrrolidine?
4-chloro-1-(2-methoxypropyl)-3,3-dimethylpyrrolidine has a molecular weight of 205.73 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-methoxypropyl)-3,3-dimethylpyrrolidine is sourced from PubChem (CID 130863604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).