2-(2-chloroethyl)-1-(cyclopropylmethyl)pyrrolidine;hydrochloride

C10H19Cl2N — CID 23318285

IUPAC2-(2-chloroethyl)-1-(cyclopropylmethyl)pyrrolidine;hydrochloride
SMILESCl.ClCCC1CCCN1CC1CC1
InChIInChI=1S/C10H18ClN.ClH/c11-6-5-10-2-1-7-12(10)8-9-3-4-9;/h9-10H,1-8H2;1H
InChIKeyKWVSBSBWCUGVOW-UHFFFAOYSA-N
MW224.17 g/mol
LogP2.91
Rot. Bonds4

About 2-(2-chloroethyl)-1-(cyclopropylmethyl)pyrrolidine;hydrochloride

2-(2-chloroethyl)-1-(cyclopropylmethyl)pyrrolidine;hydrochloride (PubChem CID 23318285) has the molecular formula C10H19Cl2N and a molecular weight of 224.17 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(cyclopropylmethyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(cyclopropylmethyl)pyrrolidine;hydrochloride
PubChem CID23318285
Molecular FormulaC10H19Cl2N
Molecular Weight224.17 g/mol
Exact Mass223.09
IUPAC Name2-(2-chloroethyl)-1-(cyclopropylmethyl)pyrrolidine;hydrochloride
SMILESCl.ClCCC1CCCN1CC1CC1
InChIInChI=1S/C10H18ClN.ClH/c11-6-5-10-2-1-7-12(10)8-9-3-4-9;/h9-10H,1-8H2;1H
InChIKeyKWVSBSBWCUGVOW-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.17
LogP ≤ 52.91
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

1,2-bis(2-chloroethyl)piperidine;hydrochloride
CID 57362051
1-(cyclopropylmethyl)-2-ethylpyrrolidine
CID 59900579
2-(chloromethyl)-1-(cyclopentylmethyl)piperidine
CID 63386513
[(2R)-1-[[(2R)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 97228617
(2S)-1-(cyclopropylmethyl)-2-(methoxymethyl)pyrrolidine
CID 142484052
2-(3-chloropropyl)-1-(oxolan-2-ylmethyl)pyrrolidine
CID 63388857
2-(bromomethyl)-1-(cyclopropylmethyl)azepane
CID 116638384
1-(cyclopentylmethyl)-2-ethylpyrrolidine
CID 130627690
[(2R)-1-(cyclopentylmethyl)pyrrolidin-2-yl]methanol
CID 62736578
[1-(cyclopentylmethyl)pyrrolidin-2-yl]methanol
CID 62016718
3-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]propan-1-amine
CID 63763200
1-(2-chloroethyl)-2-(chloromethyl)pyrrolidine;hydrochloride
CID 21144551

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(cyclopropylmethyl)pyrrolidine;hydrochloride?
The IUPAC name of 2-(2-chloroethyl)-1-(cyclopropylmethyl)pyrrolidine;hydrochloride (CID 23318285) is 2-(2-chloroethyl)-1-(cyclopropylmethyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 2-(2-chloroethyl)-1-(cyclopropylmethyl)pyrrolidine;hydrochloride?
The canonical SMILES for 2-(2-chloroethyl)-1-(cyclopropylmethyl)pyrrolidine;hydrochloride is Cl.ClCCC1CCCN1CC1CC1.
What is the InChIKey of 2-(2-chloroethyl)-1-(cyclopropylmethyl)pyrrolidine;hydrochloride?
The InChIKey is KWVSBSBWCUGVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN.ClH/c11-6-5-10-2-1-7-12(10)8-9-3-4-9;/h9-10H,1-8H2;1H.
What are the key properties of 2-(2-chloroethyl)-1-(cyclopropylmethyl)pyrrolidine;hydrochloride?
2-(2-chloroethyl)-1-(cyclopropylmethyl)pyrrolidine;hydrochloride has a molecular weight of 224.17 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(cyclopropylmethyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 23318285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).