2-(chloromethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine

C15H26ClNO — CID 102900769

IUPAC2-(chloromethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine
SMILESClCC1CCCN1CC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H26ClNO/c16-11-13-5-4-10-17(13)12-14-6-9-15(18-14)7-2-1-3-8-15/h13-14H,1-12H2
InChIKeyWCHQDQVTJAYZOP-UHFFFAOYSA-N
MW271.83 g/mol
LogP3.57
Rot. Bonds3

About 2-(chloromethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine

2-(chloromethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine (PubChem CID 102900769) has the molecular formula C15H26ClNO and a molecular weight of 271.83 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name2-(chloromethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine
PubChem CID102900769
Molecular FormulaC15H26ClNO
Molecular Weight271.83 g/mol
Exact Mass271.17
IUPAC Name2-(chloromethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine
SMILESClCC1CCCN1CC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H26ClNO/c16-11-13-5-4-10-17(13)12-14-6-9-15(18-14)7-2-1-3-8-15/h13-14H,1-12H2
InChIKeyWCHQDQVTJAYZOP-UHFFFAOYSA-N
XLogP3.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.83
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine?
The IUPAC name of 2-(chloromethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine (CID 102900769) is 2-(chloromethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine.
What is the SMILES notation for 2-(chloromethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine?
The canonical SMILES for 2-(chloromethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine is ClCC1CCCN1CC1CCC2(CCCCC2)O1.
What is the InChIKey of 2-(chloromethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine?
The InChIKey is WCHQDQVTJAYZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClNO/c16-11-13-5-4-10-17(13)12-14-6-9-15(18-14)7-2-1-3-8-15/h13-14H,1-12H2.
What are the key properties of 2-(chloromethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine?
2-(chloromethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine has a molecular weight of 271.83 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine is sourced from PubChem (CID 102900769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).