3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1H-pyridin-2-one

C11H13ClN2O2 — CID 168507798

IUPAC3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)c(N2CC(CCl)CC2=O)c1
InChIInChI=1S/C11H13ClN2O2/c1-7-2-9(11(16)13-5-7)14-6-8(4-12)3-10(14)15/h2,5,8H,3-4,6H2,1H3,(H,13,16)
InChIKeyWMDSYLIRPSZWOO-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.28
Rot. Bonds2

About 3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1H-pyridin-2-one

3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1H-pyridin-2-one (PubChem CID 168507798) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1H-pyridin-2-one
PubChem CID168507798
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)c(N2CC(CCl)CC2=O)c1
InChIInChI=1S/C11H13ClN2O2/c1-7-2-9(11(16)13-5-7)14-6-8(4-12)3-10(14)15/h2,5,8H,3-4,6H2,1H3,(H,13,16)
InChIKeyWMDSYLIRPSZWOO-UHFFFAOYSA-N
XLogP1.28
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-oxo-5-(2-oxopyrrolidin-1-yl)-1H-pyridine-3-carboxamide
CID 140518095
7-chloro-N-methyl-N-[4-methyl-5-(methylamino)-5-oxopent-1-en-2-yl]-5,6-dihydro-1H-indole-2-carboxamide
CID 166475928
3-chloro-2,2-dimethyl-N-(1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-1,2-dihydropyridin-3-yl)propanamide
CID 45526777
3-(4-ethynyl-2-oxopyrrolidin-1-yl)-5-methyl-1H-pyridin-2-one
CID 168501154
3-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1H-pyridin-2-one
CID 168504477
3-[[4-(chloromethyl)-2-oxopyrrolidin-1-yl]methyl]-4,6-dimethyl-1H-pyridin-2-one
CID 168507016
5-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one
CID 168508932
5-bromo-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one
CID 168509304
5-chloro-3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one
CID 168509355
3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one
CID 168509534
3-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1H-pyridin-2-one
CID 168656737
3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1H-pyridin-2-one
CID 168659830

Frequently Asked Questions

What is the IUPAC name of 3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1H-pyridin-2-one?
The IUPAC name of 3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1H-pyridin-2-one (CID 168507798) is 3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1H-pyridin-2-one is Cc1c[nH]c(=O)c(N2CC(CCl)CC2=O)c1.
What is the InChIKey of 3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1H-pyridin-2-one?
The InChIKey is WMDSYLIRPSZWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-7-2-9(11(16)13-5-7)14-6-8(4-12)3-10(14)15/h2,5,8H,3-4,6H2,1H3,(H,13,16).
What are the key properties of 3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1H-pyridin-2-one?
3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1H-pyridin-2-one has a molecular weight of 240.69 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1H-pyridin-2-one is sourced from PubChem (CID 168507798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).