2-(chloromethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidine

C13H24ClNO — CID 102784850

IUPAC2-(chloromethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidine
SMILESCC1CCN(CC2CCC(C)(C)O2)C1CCl
InChIInChI=1S/C13H24ClNO/c1-10-5-7-15(12(10)8-14)9-11-4-6-13(2,3)16-11/h10-12H,4-9H2,1-3H3
InChIKeyHWWFXNCDQPEPTH-UHFFFAOYSA-N
MW245.79 g/mol
LogP2.89
Rot. Bonds3

About 2-(chloromethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidine

2-(chloromethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidine (PubChem CID 102784850) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is 2-(chloromethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidine.

Molecular Properties

Compound Name2-(chloromethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidine
PubChem CID102784850
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC Name2-(chloromethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidine
SMILESCC1CCN(CC2CCC(C)(C)O2)C1CCl
InChIInChI=1S/C13H24ClNO/c1-10-5-7-15(12(10)8-14)9-11-4-6-13(2,3)16-11/h10-12H,4-9H2,1-3H3
InChIKeyHWWFXNCDQPEPTH-UHFFFAOYSA-N
XLogP2.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
LogP ≤ 52.89
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

(1R,4S)-5-(2-chloroethyl)-3,3-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane;hydrochloride
CID 69418771
(1R,4S)-5-(2-chloroethyl)-3,3-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 69418772
7-(3-Chloropropyl)-1-oxa-7-azaspiro[4.4]nonane
CID 176924600
2-(Chloromethyl)-1-(oxolan-2-ylmethyl)pyrrolidine
CID 63388095
2-(3-Chloropropyl)-1-(oxolan-2-ylmethyl)pyrrolidine
CID 63388857
3-(Chloromethyl)-1-(oxolan-2-ylmethyl)pyrrolidine
CID 63388943
5-chloro-N,3-dimethyl-N-(oxolan-2-ylmethyl)pentan-1-amine
CID 65665632
5-chloro-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)pentan-1-amine
CID 65665836
2-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-N-methylcyclohexan-1-amine
CID 102637528
2-(Chloromethyl)-3-methyl-1-(oxolan-2-ylmethyl)pyrrolidine
CID 102784519
2-(Chloromethyl)-3-methyl-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 102784583
2-(Chloromethyl)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
CID 102784612

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidine?
The IUPAC name of 2-(chloromethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidine (CID 102784850) is 2-(chloromethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidine.
What is the SMILES notation for 2-(chloromethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidine?
The canonical SMILES for 2-(chloromethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidine is CC1CCN(CC2CCC(C)(C)O2)C1CCl.
What is the InChIKey of 2-(chloromethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidine?
The InChIKey is HWWFXNCDQPEPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO/c1-10-5-7-15(12(10)8-14)9-11-4-6-13(2,3)16-11/h10-12H,4-9H2,1-3H3.
What are the key properties of 2-(chloromethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidine?
2-(chloromethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidine has a molecular weight of 245.79 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidine is sourced from PubChem (CID 102784850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).