3-chloro-4-methyl-1-[2-(oxolan-2-yl)ethyl]pyrrolidine

C11H20ClNO — CID 131165985

IUPAC3-chloro-4-methyl-1-[2-(oxolan-2-yl)ethyl]pyrrolidine
SMILESCC1CN(CCC2CCCO2)CC1Cl
InChIInChI=1S/C11H20ClNO/c1-9-7-13(8-11(9)12)5-4-10-3-2-6-14-10/h9-11H,2-8H2,1H3
InChIKeySOIRGZMPUWQRRS-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.11
Rot. Bonds3

About 3-chloro-4-methyl-1-[2-(oxolan-2-yl)ethyl]pyrrolidine

3-chloro-4-methyl-1-[2-(oxolan-2-yl)ethyl]pyrrolidine (PubChem CID 131165985) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 3-chloro-4-methyl-1-[2-(oxolan-2-yl)ethyl]pyrrolidine.

Molecular Properties

Compound Name3-chloro-4-methyl-1-[2-(oxolan-2-yl)ethyl]pyrrolidine
PubChem CID131165985
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name3-chloro-4-methyl-1-[2-(oxolan-2-yl)ethyl]pyrrolidine
SMILESCC1CN(CCC2CCCO2)CC1Cl
InChIInChI=1S/C11H20ClNO/c1-9-7-13(8-11(9)12)5-4-10-3-2-6-14-10/h9-11H,2-8H2,1H3
InChIKeySOIRGZMPUWQRRS-UHFFFAOYSA-N
XLogP2.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine
CID 65162323
3-methyl-1-[2-(oxolan-2-yl)ethyl]piperidin-4-ol
CID 114502307
3-chloro-1-[2-(oxolan-2-yl)ethyl]piperidine
CID 65165784
[6-methyl-4-[2-(oxolan-2-yl)ethyl]morpholin-2-yl]methanamine
CID 102938890
3,7-dimethyl-1-[2-(oxan-2-yl)ethyl]-1,5-diazocane
CID 106003150
4-[2-(oxolan-2-yl)ethyl]morpholine
CID 130172160
1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dimethylpyrrolidine
CID 79189022
2-(chloromethyl)-6-methyl-4-[3-(oxolan-2-yl)propyl]morpholine
CID 102936612
1-(2-bromoethyl)-4-[2-(oxolan-2-yl)ethyl]piperazine
CID 80673810
1-[2-(oxolan-2-yl)ethyl]piperidin-4-ol
CID 65165900
(3R,4S)-1-[3-(oxolan-2-yl)propyl]pyrrolidine-3,4-diol
CID 79410973
3-ethyl-1-[2-(oxolan-2-yl)ethyl]piperidin-4-ol
CID 114510787

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-1-[2-(oxolan-2-yl)ethyl]pyrrolidine?
The IUPAC name of 3-chloro-4-methyl-1-[2-(oxolan-2-yl)ethyl]pyrrolidine (CID 131165985) is 3-chloro-4-methyl-1-[2-(oxolan-2-yl)ethyl]pyrrolidine.
What is the SMILES notation for 3-chloro-4-methyl-1-[2-(oxolan-2-yl)ethyl]pyrrolidine?
The canonical SMILES for 3-chloro-4-methyl-1-[2-(oxolan-2-yl)ethyl]pyrrolidine is CC1CN(CCC2CCCO2)CC1Cl.
What is the InChIKey of 3-chloro-4-methyl-1-[2-(oxolan-2-yl)ethyl]pyrrolidine?
The InChIKey is SOIRGZMPUWQRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-9-7-13(8-11(9)12)5-4-10-3-2-6-14-10/h9-11H,2-8H2,1H3.
What are the key properties of 3-chloro-4-methyl-1-[2-(oxolan-2-yl)ethyl]pyrrolidine?
3-chloro-4-methyl-1-[2-(oxolan-2-yl)ethyl]pyrrolidine has a molecular weight of 217.74 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-1-[2-(oxolan-2-yl)ethyl]pyrrolidine is sourced from PubChem (CID 131165985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).