3-(2,3-dichloroprop-2-enoxymethyl)pyrrolidine

C8H13Cl2NO — CID 79172967

IUPAC3-(2,3-dichloroprop-2-enoxymethyl)pyrrolidine
SMILESClC=C(Cl)COCC1CCNC1
InChIInChI=1S/C8H13Cl2NO/c9-3-8(10)6-12-5-7-1-2-11-4-7/h3,7,11H,1-2,4-6H2
InChIKeyRNKGFDYRMYVHMR-UHFFFAOYSA-N
MW210.10 g/mol
LogP1.93
Rot. Bonds4

About 3-(2,3-dichloroprop-2-enoxymethyl)pyrrolidine

3-(2,3-dichloroprop-2-enoxymethyl)pyrrolidine (PubChem CID 79172967) has the molecular formula C8H13Cl2NO and a molecular weight of 210.10 g/mol. Its IUPAC name is 3-(2,3-dichloroprop-2-enoxymethyl)pyrrolidine.

Molecular Properties

Compound Name3-(2,3-dichloroprop-2-enoxymethyl)pyrrolidine
PubChem CID79172967
Molecular FormulaC8H13Cl2NO
Molecular Weight210.10 g/mol
Exact Mass209.04
IUPAC Name3-(2,3-dichloroprop-2-enoxymethyl)pyrrolidine
SMILESClC=C(Cl)COCC1CCNC1
InChIInChI=1S/C8H13Cl2NO/c9-3-8(10)6-12-5-7-1-2-11-4-7/h3,7,11H,1-2,4-6H2
InChIKeyRNKGFDYRMYVHMR-UHFFFAOYSA-N
XLogP1.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.10
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,3-dichloroprop-2-enoxymethyl)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 3-(2,3-dichloroprop-2-enoxymethyl)pyrrolidine?
The IUPAC name of 3-(2,3-dichloroprop-2-enoxymethyl)pyrrolidine (CID 79172967) is 3-(2,3-dichloroprop-2-enoxymethyl)pyrrolidine.
What is the SMILES notation for 3-(2,3-dichloroprop-2-enoxymethyl)pyrrolidine?
The canonical SMILES for 3-(2,3-dichloroprop-2-enoxymethyl)pyrrolidine is ClC=C(Cl)COCC1CCNC1.
What is the InChIKey of 3-(2,3-dichloroprop-2-enoxymethyl)pyrrolidine?
The InChIKey is RNKGFDYRMYVHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl2NO/c9-3-8(10)6-12-5-7-1-2-11-4-7/h3,7,11H,1-2,4-6H2.
What are the key properties of 3-(2,3-dichloroprop-2-enoxymethyl)pyrrolidine?
3-(2,3-dichloroprop-2-enoxymethyl)pyrrolidine has a molecular weight of 210.10 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichloroprop-2-enoxymethyl)pyrrolidine is sourced from PubChem (CID 79172967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).