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

C8H13Cl2NO — CID 79174179

IUPAC2-(2,3-dichloroprop-2-enoxymethyl)pyrrolidine
SMILESClC=C(Cl)COCC1CCCN1
InChIInChI=1S/C8H13Cl2NO/c9-4-7(10)5-12-6-8-2-1-3-11-8/h4,8,11H,1-3,5-6H2
InChIKeyUNIPPJFAVCXVBA-UHFFFAOYSA-N
MW210.10 g/mol
LogP2.07
Rot. Bonds4

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

2-(2,3-dichloroprop-2-enoxymethyl)pyrrolidine (PubChem CID 79174179) has the molecular formula C8H13Cl2NO and a molecular weight of 210.10 g/mol. Its IUPAC name is 2-(2,3-dichloroprop-2-enoxymethyl)pyrrolidine.

Molecular Properties

Compound Name2-(2,3-dichloroprop-2-enoxymethyl)pyrrolidine
PubChem CID79174179
Molecular FormulaC8H13Cl2NO
Molecular Weight210.10 g/mol
Exact Mass209.04
IUPAC Name2-(2,3-dichloroprop-2-enoxymethyl)pyrrolidine
SMILESClC=C(Cl)COCC1CCCN1
InChIInChI=1S/C8H13Cl2NO/c9-4-7(10)5-12-6-8-2-1-3-11-8/h4,8,11H,1-3,5-6H2
InChIKeyUNIPPJFAVCXVBA-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloroprop-2-enoxymethyl)pyrrolidine?
The IUPAC name of 2-(2,3-dichloroprop-2-enoxymethyl)pyrrolidine (CID 79174179) is 2-(2,3-dichloroprop-2-enoxymethyl)pyrrolidine.
What is the SMILES notation for 2-(2,3-dichloroprop-2-enoxymethyl)pyrrolidine?
The canonical SMILES for 2-(2,3-dichloroprop-2-enoxymethyl)pyrrolidine is ClC=C(Cl)COCC1CCCN1.
What is the InChIKey of 2-(2,3-dichloroprop-2-enoxymethyl)pyrrolidine?
The InChIKey is UNIPPJFAVCXVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl2NO/c9-4-7(10)5-12-6-8-2-1-3-11-8/h4,8,11H,1-3,5-6H2.
What are the key properties of 2-(2,3-dichloroprop-2-enoxymethyl)pyrrolidine?
2-(2,3-dichloroprop-2-enoxymethyl)pyrrolidine has a molecular weight of 210.10 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloroprop-2-enoxymethyl)pyrrolidine is sourced from PubChem (CID 79174179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).