(2S)-2-(2-chloroethyl)pyrrolidine

C6H12ClN — CID 11367237

IUPAC(2S)-2-(2-chloroethyl)pyrrolidine
SMILESClCC[C@@H]1CCCN1
InChIInChI=1S/C6H12ClN/c7-4-3-6-2-1-5-8-6/h6,8H,1-5H2/t6-/m0/s1
InChIKeyXWTGOZXZVTWOIW-LURJTMIESA-N
MW133.62 g/mol
LogP1.37
Rot. Bonds2

About (2S)-2-(2-chloroethyl)pyrrolidine

(2S)-2-(2-chloroethyl)pyrrolidine (PubChem CID 11367237) has the molecular formula C6H12ClN and a molecular weight of 133.62 g/mol. Its IUPAC name is (2S)-2-(2-chloroethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(2-chloroethyl)pyrrolidine
PubChem CID11367237
Molecular FormulaC6H12ClN
Molecular Weight133.62 g/mol
Exact Mass133.07
IUPAC Name(2S)-2-(2-chloroethyl)pyrrolidine
SMILESClCC[C@@H]1CCCN1
InChIInChI=1S/C6H12ClN/c7-4-3-6-2-1-5-8-6/h6,8H,1-5H2/t6-/m0/s1
InChIKeyXWTGOZXZVTWOIW-LURJTMIESA-N
XLogP1.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.62
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyclopropylethyl)pyrrolidine
CID 23166213
2-pyrrolidin-2-ylethanamine
CID 14030009
ethane;(2R)-2-propylpyrrolidine
CID 155717204
ethane;2-propylpyrrolidine
CID 143349498
(2S)-2-[3-[(2S)-piperidin-2-yl]propyl]piperidine
CID 29416072
(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
CID 29416085
4-(2-pyrrolidin-2-ylethyl)piperidine
CID 67721299
2-(2-methylsulfanylethyl)pyrrolidine
CID 81142989
pyrrolidin-2-ylmethanethiol
CID 15793333
CID 18724132
CID 18724132
(2S)-2-hexylpyrrolidine
CID 7047826
7-pyrrolidin-2-ylheptan-1-ol
CID 10330055

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chloroethyl)pyrrolidine?
The IUPAC name of (2S)-2-(2-chloroethyl)pyrrolidine (CID 11367237) is (2S)-2-(2-chloroethyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(2-chloroethyl)pyrrolidine?
The canonical SMILES for (2S)-2-(2-chloroethyl)pyrrolidine is ClCC[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-(2-chloroethyl)pyrrolidine?
The InChIKey is XWTGOZXZVTWOIW-LURJTMIESA-N. The full InChI is InChI=1S/C6H12ClN/c7-4-3-6-2-1-5-8-6/h6,8H,1-5H2/t6-/m0/s1.
What are the key properties of (2S)-2-(2-chloroethyl)pyrrolidine?
(2S)-2-(2-chloroethyl)pyrrolidine has a molecular weight of 133.62 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chloroethyl)pyrrolidine is sourced from PubChem (CID 11367237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).