3-(2-chloroethyl)-1-(3-chloro-2-methylprop-2-enyl)pyrrolidine

C10H17Cl2N — CID 106440086

IUPAC3-(2-chloroethyl)-1-(3-chloro-2-methylprop-2-enyl)pyrrolidine
SMILESCC(=CCl)CN1CCC(CCCl)C1
InChIInChI=1S/C10H17Cl2N/c1-9(6-12)7-13-5-3-10(8-13)2-4-11/h6,10H,2-5,7-8H2,1H3
InChIKeyBCBAHLNDOAROCJ-UHFFFAOYSA-N
MW222.16 g/mol
LogP3.08
Rot. Bonds4

About 3-(2-chloroethyl)-1-(3-chloro-2-methylprop-2-enyl)pyrrolidine

3-(2-chloroethyl)-1-(3-chloro-2-methylprop-2-enyl)pyrrolidine (PubChem CID 106440086) has the molecular formula C10H17Cl2N and a molecular weight of 222.16 g/mol. Its IUPAC name is 3-(2-chloroethyl)-1-(3-chloro-2-methylprop-2-enyl)pyrrolidine.

Molecular Properties

Compound Name3-(2-chloroethyl)-1-(3-chloro-2-methylprop-2-enyl)pyrrolidine
PubChem CID106440086
Molecular FormulaC10H17Cl2N
Molecular Weight222.16 g/mol
Exact Mass221.07
IUPAC Name3-(2-chloroethyl)-1-(3-chloro-2-methylprop-2-enyl)pyrrolidine
SMILESCC(=CCl)CN1CCC(CCCl)C1
InChIInChI=1S/C10H17Cl2N/c1-9(6-12)7-13-5-3-10(8-13)2-4-11/h6,10H,2-5,7-8H2,1H3
InChIKeyBCBAHLNDOAROCJ-UHFFFAOYSA-N
XLogP3.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.16
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(3-chloro-2-methylprop-2-enyl)piperidin-3-amine
CID 106439538
4-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine
CID 106439936
1-(3-chloro-2-methylprop-2-enyl)piperidin-3-ol
CID 106439835
4-(2-chloroethoxy)-1-(3-chloro-2-methylprop-2-enyl)piperidine
CID 106440040
1,3-bis(2-chloroethyl)pyrrolidine;hydrochloride
CID 69446979
3-(2-chloroethyl)-1-(3,3-dimethylbutyl)pyrrolidine
CID 114800614
1-(3-chloro-2-methylprop-2-enyl)piperidine-4-carboxylic acid
CID 106439191
1-[3-(2-chloroethyl)pyrrolidin-1-yl]ethanone
CID 114801099
N-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 106438729
3-[3-(2-chloroethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine
CID 114800653
3-(2-chloroethyl)-1-(3-methylsulfanylpropyl)pyrrolidine
CID 114800524
2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-4-yl]oxyethanol
CID 106439882

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethyl)-1-(3-chloro-2-methylprop-2-enyl)pyrrolidine?
The IUPAC name of 3-(2-chloroethyl)-1-(3-chloro-2-methylprop-2-enyl)pyrrolidine (CID 106440086) is 3-(2-chloroethyl)-1-(3-chloro-2-methylprop-2-enyl)pyrrolidine.
What is the SMILES notation for 3-(2-chloroethyl)-1-(3-chloro-2-methylprop-2-enyl)pyrrolidine?
The canonical SMILES for 3-(2-chloroethyl)-1-(3-chloro-2-methylprop-2-enyl)pyrrolidine is CC(=CCl)CN1CCC(CCCl)C1.
What is the InChIKey of 3-(2-chloroethyl)-1-(3-chloro-2-methylprop-2-enyl)pyrrolidine?
The InChIKey is BCBAHLNDOAROCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl2N/c1-9(6-12)7-13-5-3-10(8-13)2-4-11/h6,10H,2-5,7-8H2,1H3.
What are the key properties of 3-(2-chloroethyl)-1-(3-chloro-2-methylprop-2-enyl)pyrrolidine?
3-(2-chloroethyl)-1-(3-chloro-2-methylprop-2-enyl)pyrrolidine has a molecular weight of 222.16 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethyl)-1-(3-chloro-2-methylprop-2-enyl)pyrrolidine is sourced from PubChem (CID 106440086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).