3-(chloromethyl)-1-cyclopentylpyridin-2-one

C11H14ClNO — CID 82526593

IUPAC3-(chloromethyl)-1-cyclopentylpyridin-2-one
SMILESO=c1c(CCl)cccn1C1CCCC1
InChIInChI=1S/C11H14ClNO/c12-8-9-4-3-7-13(11(9)14)10-5-1-2-6-10/h3-4,7,10H,1-2,5-6,8H2
InChIKeyFMZSAODFVMFBJB-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.70
Rot. Bonds2

About 3-(chloromethyl)-1-cyclopentylpyridin-2-one

3-(chloromethyl)-1-cyclopentylpyridin-2-one (PubChem CID 82526593) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 3-(chloromethyl)-1-cyclopentylpyridin-2-one.

Molecular Properties

Compound Name3-(chloromethyl)-1-cyclopentylpyridin-2-one
PubChem CID82526593
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name3-(chloromethyl)-1-cyclopentylpyridin-2-one
SMILESO=c1c(CCl)cccn1C1CCCC1
InChIInChI=1S/C11H14ClNO/c12-8-9-4-3-7-13(11(9)14)10-5-1-2-6-10/h3-4,7,10H,1-2,5-6,8H2
InChIKeyFMZSAODFVMFBJB-UHFFFAOYSA-N
XLogP2.70
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.70
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 3-(chloromethyl)-1-cyclopentylpyridin-2-one?
The IUPAC name of 3-(chloromethyl)-1-cyclopentylpyridin-2-one (CID 82526593) is 3-(chloromethyl)-1-cyclopentylpyridin-2-one.
What is the SMILES notation for 3-(chloromethyl)-1-cyclopentylpyridin-2-one?
The canonical SMILES for 3-(chloromethyl)-1-cyclopentylpyridin-2-one is O=c1c(CCl)cccn1C1CCCC1.
What is the InChIKey of 3-(chloromethyl)-1-cyclopentylpyridin-2-one?
The InChIKey is FMZSAODFVMFBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c12-8-9-4-3-7-13(11(9)14)10-5-1-2-6-10/h3-4,7,10H,1-2,5-6,8H2.
What are the key properties of 3-(chloromethyl)-1-cyclopentylpyridin-2-one?
3-(chloromethyl)-1-cyclopentylpyridin-2-one has a molecular weight of 211.69 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-cyclopentylpyridin-2-one is sourced from PubChem (CID 82526593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).