[2-(chloromethyl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone

C11H18ClNO2 — CID 81327806

IUPAC[2-(chloromethyl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone
SMILESCC1CCC(C(=O)N2CCCC2CCl)O1
InChIInChI=1S/C11H18ClNO2/c1-8-4-5-10(15-8)11(14)13-6-2-3-9(13)7-12/h8-10H,2-7H2,1H3
InChIKeyUKTBQQMWTRBGMP-UHFFFAOYSA-N
MW231.72 g/mol
LogP1.78
Rot. Bonds2

About [2-(chloromethyl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone

[2-(chloromethyl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone (PubChem CID 81327806) has the molecular formula C11H18ClNO2 and a molecular weight of 231.72 g/mol. Its IUPAC name is [2-(chloromethyl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone
PubChem CID81327806
Molecular FormulaC11H18ClNO2
Molecular Weight231.72 g/mol
Exact Mass231.10
IUPAC Name[2-(chloromethyl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone
SMILESCC1CCC(C(=O)N2CCCC2CCl)O1
InChIInChI=1S/C11H18ClNO2/c1-8-4-5-10(15-8)11(14)13-6-2-3-9(13)7-12/h8-10H,2-7H2,1H3
InChIKeyUKTBQQMWTRBGMP-UHFFFAOYSA-N
XLogP1.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
LogP ≤ 51.78
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)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone?
The IUPAC name of [2-(chloromethyl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone (CID 81327806) is [2-(chloromethyl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone.
What is the SMILES notation for [2-(chloromethyl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone?
The canonical SMILES for [2-(chloromethyl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone is CC1CCC(C(=O)N2CCCC2CCl)O1.
What is the InChIKey of [2-(chloromethyl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone?
The InChIKey is UKTBQQMWTRBGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO2/c1-8-4-5-10(15-8)11(14)13-6-2-3-9(13)7-12/h8-10H,2-7H2,1H3.
What are the key properties of [2-(chloromethyl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone?
[2-(chloromethyl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone has a molecular weight of 231.72 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone is sourced from PubChem (CID 81327806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).