5-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one

C10H11ClN2O2 — CID 168508932

IUPAC5-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one
SMILESO=C1CC(CCl)CN1c1ccc(=O)[nH]c1
InChIInChI=1S/C10H11ClN2O2/c11-4-7-3-10(15)13(6-7)8-1-2-9(14)12-5-8/h1-2,5,7H,3-4,6H2,(H,12,14)
InChIKeyUIIPUXAUYSAPTF-UHFFFAOYSA-N
MW226.66 g/mol
LogP0.97
Rot. Bonds2

About 5-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one

5-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one (PubChem CID 168508932) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 5-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one
PubChem CID168508932
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name5-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one
SMILESO=C1CC(CCl)CN1c1ccc(=O)[nH]c1
InChIInChI=1S/C10H11ClN2O2/c11-4-7-3-10(15)13(6-7)8-1-2-9(14)12-5-8/h1-2,5,7H,3-4,6H2,(H,12,14)
InChIKeyUIIPUXAUYSAPTF-UHFFFAOYSA-N
XLogP0.97
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 50.97
H-Bond Donors ≤ 51
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 5-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one (CID 168508932) is 5-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one is O=C1CC(CCl)CN1c1ccc(=O)[nH]c1.
What is the InChIKey of 5-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one?
The InChIKey is UIIPUXAUYSAPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c11-4-7-3-10(15)13(6-7)8-1-2-9(14)12-5-8/h1-2,5,7H,3-4,6H2,(H,12,14).
What are the key properties of 5-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one?
5-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one has a molecular weight of 226.66 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one is sourced from PubChem (CID 168508932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).