2-(chloromethyl)-3-methyl-1-(oxolan-2-ylmethyl)pyrrolidine

C11H20ClNO — CID 102784519

IUPAC2-(chloromethyl)-3-methyl-1-(oxolan-2-ylmethyl)pyrrolidine
SMILESCC1CCN(CC2CCCO2)C1CCl
InChIInChI=1S/C11H20ClNO/c1-9-4-5-13(11(9)7-12)8-10-3-2-6-14-10/h9-11H,2-8H2,1H3
InChIKeyHLJBPTDYPHJFJF-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.11
Rot. Bonds3

About 2-(chloromethyl)-3-methyl-1-(oxolan-2-ylmethyl)pyrrolidine

2-(chloromethyl)-3-methyl-1-(oxolan-2-ylmethyl)pyrrolidine (PubChem CID 102784519) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 2-(chloromethyl)-3-methyl-1-(oxolan-2-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name2-(chloromethyl)-3-methyl-1-(oxolan-2-ylmethyl)pyrrolidine
PubChem CID102784519
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name2-(chloromethyl)-3-methyl-1-(oxolan-2-ylmethyl)pyrrolidine
SMILESCC1CCN(CC2CCCO2)C1CCl
InChIInChI=1S/C11H20ClNO/c1-9-4-5-13(11(9)7-12)8-10-3-2-6-14-10/h9-11H,2-8H2,1H3
InChIKeyHLJBPTDYPHJFJF-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

2-methyl-1-(oxolan-2-ylmethyl)pyrrolidin-3-amine
CID 83684198
1-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 102786570
2,3-dimethyl-1-(oxolan-2-ylmethyl)piperidin-4-amine
CID 79397410
2-(bromomethyl)-3-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine
CID 102785673
[3-methyl-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 102788230
2-(3-chloropropyl)-1-(oxolan-2-ylmethyl)pyrrolidine
CID 63388857
3-(bromomethyl)-2-methyl-1-(oxan-2-ylmethyl)pyrrolidine
CID 130979350
3-(chloromethyl)-1-(oxolan-2-ylmethyl)piperidine
CID 63386733
2-(chloromethyl)-1-(2-methoxyethyl)-3-methylpyrrolidine
CID 102784971
[(2S)-1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 112734020
3-cyclopropyl-7-methyl-1-(oxolan-2-ylmethyl)-1,4-diazepane
CID 64871612
1-(2-chloroethyl)-4-(oxolan-2-ylmethyl)-1,4-diazepane
CID 63387476

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-methyl-1-(oxolan-2-ylmethyl)pyrrolidine?
The IUPAC name of 2-(chloromethyl)-3-methyl-1-(oxolan-2-ylmethyl)pyrrolidine (CID 102784519) is 2-(chloromethyl)-3-methyl-1-(oxolan-2-ylmethyl)pyrrolidine.
What is the SMILES notation for 2-(chloromethyl)-3-methyl-1-(oxolan-2-ylmethyl)pyrrolidine?
The canonical SMILES for 2-(chloromethyl)-3-methyl-1-(oxolan-2-ylmethyl)pyrrolidine is CC1CCN(CC2CCCO2)C1CCl.
What is the InChIKey of 2-(chloromethyl)-3-methyl-1-(oxolan-2-ylmethyl)pyrrolidine?
The InChIKey is HLJBPTDYPHJFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-9-4-5-13(11(9)7-12)8-10-3-2-6-14-10/h9-11H,2-8H2,1H3.
What are the key properties of 2-(chloromethyl)-3-methyl-1-(oxolan-2-ylmethyl)pyrrolidine?
2-(chloromethyl)-3-methyl-1-(oxolan-2-ylmethyl)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 2-(chloromethyl)-3-methyl-1-(oxolan-2-ylmethyl)pyrrolidine is sourced from PubChem (CID 102784519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).