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

C10H18ClNO — CID 63388095

IUPAC2-(chloromethyl)-1-(oxolan-2-ylmethyl)pyrrolidine
SMILESClCC1CCCN1CC1CCCO1
InChIInChI=1S/C10H18ClNO/c11-7-9-3-1-5-12(9)8-10-4-2-6-13-10/h9-10H,1-8H2
InChIKeyPLISULFVVHJVLF-UHFFFAOYSA-N
MW203.71 g/mol
LogP1.87
Rot. Bonds3

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

2-(chloromethyl)-1-(oxolan-2-ylmethyl)pyrrolidine (PubChem CID 63388095) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(oxolan-2-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name2-(chloromethyl)-1-(oxolan-2-ylmethyl)pyrrolidine
PubChem CID63388095
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name2-(chloromethyl)-1-(oxolan-2-ylmethyl)pyrrolidine
SMILESClCC1CCCN1CC1CCCO1
InChIInChI=1S/C10H18ClNO/c11-7-9-3-1-5-12(9)8-10-4-2-6-13-10/h9-10H,1-8H2
InChIKeyPLISULFVVHJVLF-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
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

Furfurylamine, tetrahydro-N,N-bis(2-chloroethyl)-
CID 45696
(1S,4S)-5-(2-chloroethyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 55298474
(2R)-1-(2-chloroethyl)-2-(methoxymethyl)pyrrolidine
CID 59293405
5-(2-Chloroethyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 76225091
5-(3-Chloropropyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 129051498
(1R,4R)-5-(2-chloroethyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 152261470
3-chloro-N-ethyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 55137393
2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61435409
5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pentan-1-amine
CID 61435455
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036
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

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(oxolan-2-ylmethyl)pyrrolidine?
The IUPAC name of 2-(chloromethyl)-1-(oxolan-2-ylmethyl)pyrrolidine (CID 63388095) is 2-(chloromethyl)-1-(oxolan-2-ylmethyl)pyrrolidine.
What is the SMILES notation for 2-(chloromethyl)-1-(oxolan-2-ylmethyl)pyrrolidine?
The canonical SMILES for 2-(chloromethyl)-1-(oxolan-2-ylmethyl)pyrrolidine is ClCC1CCCN1CC1CCCO1.
What is the InChIKey of 2-(chloromethyl)-1-(oxolan-2-ylmethyl)pyrrolidine?
The InChIKey is PLISULFVVHJVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c11-7-9-3-1-5-12(9)8-10-4-2-6-13-10/h9-10H,1-8H2.
What are the key properties of 2-(chloromethyl)-1-(oxolan-2-ylmethyl)pyrrolidine?
2-(chloromethyl)-1-(oxolan-2-ylmethyl)pyrrolidine has a molecular weight of 203.71 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(oxolan-2-ylmethyl)pyrrolidine is sourced from PubChem (CID 63388095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).