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

C10H18ClNO — CID 63388943

IUPAC3-(chloromethyl)-1-(oxolan-2-ylmethyl)pyrrolidine
SMILESClCC1CCN(CC2CCCO2)C1
InChIInChI=1S/C10H18ClNO/c11-6-9-3-4-12(7-9)8-10-2-1-5-13-10/h9-10H,1-8H2
InChIKeyGYJWTPRKYDPBGL-UHFFFAOYSA-N
MW203.71 g/mol
LogP1.73
Rot. Bonds3

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

3-(chloromethyl)-1-(oxolan-2-ylmethyl)pyrrolidine (PubChem CID 63388943) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 3-(chloromethyl)-1-(oxolan-2-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name3-(chloromethyl)-1-(oxolan-2-ylmethyl)pyrrolidine
PubChem CID63388943
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name3-(chloromethyl)-1-(oxolan-2-ylmethyl)pyrrolidine
SMILESClCC1CCN(CC2CCCO2)C1
InChIInChI=1S/C10H18ClNO/c11-6-9-3-4-12(7-9)8-10-2-1-5-13-10/h9-10H,1-8H2
InChIKeyGYJWTPRKYDPBGL-UHFFFAOYSA-N
XLogP1.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 51.73
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

7-(3-Chloropropyl)-1-oxa-7-azaspiro[4.4]nonane
CID 176924600
3-chloro-N-ethyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 55137393
5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pentan-1-amine
CID 61435455
3-chloro-N-methyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 61436037
5-chloro-N-methyl-N-(oxolan-2-ylmethyl)pentan-1-amine
CID 61436040
4-chloro-N-methyl-N-(oxolan-2-ylmethyl)butan-1-amine
CID 61749241
4-chloro-N-ethyl-N-(oxolan-2-ylmethyl)butan-1-amine
CID 61749432
6-chloro-N-methyl-N-(oxolan-2-ylmethyl)hexan-1-amine
CID 62227446
6-chloro-N-ethyl-N-(oxolan-2-ylmethyl)hexan-1-amine
CID 62227644
3-(Chloromethyl)-1-(oxolan-2-ylmethyl)piperidine
CID 63386733
4-(Chloromethyl)-1-(oxolan-2-ylmethyl)piperidine
CID 63387612
3-Chloro-1-(oxolan-2-ylmethyl)pyrrolidine
CID 63387824

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1-(oxolan-2-ylmethyl)pyrrolidine?
The IUPAC name of 3-(chloromethyl)-1-(oxolan-2-ylmethyl)pyrrolidine (CID 63388943) is 3-(chloromethyl)-1-(oxolan-2-ylmethyl)pyrrolidine.
What is the SMILES notation for 3-(chloromethyl)-1-(oxolan-2-ylmethyl)pyrrolidine?
The canonical SMILES for 3-(chloromethyl)-1-(oxolan-2-ylmethyl)pyrrolidine is ClCC1CCN(CC2CCCO2)C1.
What is the InChIKey of 3-(chloromethyl)-1-(oxolan-2-ylmethyl)pyrrolidine?
The InChIKey is GYJWTPRKYDPBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c11-6-9-3-4-12(7-9)8-10-2-1-5-13-10/h9-10H,1-8H2.
What are the key properties of 3-(chloromethyl)-1-(oxolan-2-ylmethyl)pyrrolidine?
3-(chloromethyl)-1-(oxolan-2-ylmethyl)pyrrolidine has a molecular weight of 203.71 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-(oxolan-2-ylmethyl)pyrrolidine is sourced from PubChem (CID 63388943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).