4-(chloromethyl)-1-(5-methoxy-2-methylphenyl)pyrrolidin-2-one

C13H16ClNO2 — CID 168507830

IUPAC4-(chloromethyl)-1-(5-methoxy-2-methylphenyl)pyrrolidin-2-one
SMILESCOc1ccc(C)c(N2CC(CCl)CC2=O)c1
InChIInChI=1S/C13H16ClNO2/c1-9-3-4-11(17-2)6-12(9)15-8-10(7-14)5-13(15)16/h3-4,6,10H,5,7-8H2,1-2H3
InChIKeyRYLZBQSXLBVBIN-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.60
Rot. Bonds3

About 4-(chloromethyl)-1-(5-methoxy-2-methylphenyl)pyrrolidin-2-one

4-(chloromethyl)-1-(5-methoxy-2-methylphenyl)pyrrolidin-2-one (PubChem CID 168507830) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(5-methoxy-2-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-(5-methoxy-2-methylphenyl)pyrrolidin-2-one
PubChem CID168507830
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name4-(chloromethyl)-1-(5-methoxy-2-methylphenyl)pyrrolidin-2-one
SMILESCOc1ccc(C)c(N2CC(CCl)CC2=O)c1
InChIInChI=1S/C13H16ClNO2/c1-9-3-4-11(17-2)6-12(9)15-8-10(7-14)5-13(15)16/h3-4,6,10H,5,7-8H2,1-2H3
InChIKeyRYLZBQSXLBVBIN-UHFFFAOYSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-1-(2-fluoro-4-methoxyphenyl)pyrrolidin-2-one
CID 168507474
2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-4-methoxybenzonitrile
CID 168507477
4-(chloromethyl)-1-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168507470
methyl 2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-5-methoxybenzoate
CID 168507337
3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-4-methylbenzonitrile
CID 168507806
4-(chloromethyl)-1-(2-methyl-5-methylsulfonylphenyl)pyrrolidin-2-one
CID 168507831
methyl 1-(5-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693752
4-(chloromethyl)-1-(4-methoxy-3-methylphenyl)pyrrolidin-2-one
CID 168507729
4-(chloromethyl)-1-(5-fluoro-2-methoxyphenyl)pyrrolidin-2-one
CID 168507511
4-(chloromethyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-2-one
CID 168507489
4-(chloromethyl)-1-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidin-2-one
CID 168507487
4-(chloromethyl)-1-(5-fluoro-2,4-dimethoxyphenyl)pyrrolidin-2-one
CID 168507441

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(5-methoxy-2-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-(5-methoxy-2-methylphenyl)pyrrolidin-2-one (CID 168507830) is 4-(chloromethyl)-1-(5-methoxy-2-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-(5-methoxy-2-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-(5-methoxy-2-methylphenyl)pyrrolidin-2-one is COc1ccc(C)c(N2CC(CCl)CC2=O)c1.
What is the InChIKey of 4-(chloromethyl)-1-(5-methoxy-2-methylphenyl)pyrrolidin-2-one?
The InChIKey is RYLZBQSXLBVBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-9-3-4-11(17-2)6-12(9)15-8-10(7-14)5-13(15)16/h3-4,6,10H,5,7-8H2,1-2H3.
What are the key properties of 4-(chloromethyl)-1-(5-methoxy-2-methylphenyl)pyrrolidin-2-one?
4-(chloromethyl)-1-(5-methoxy-2-methylphenyl)pyrrolidin-2-one has a molecular weight of 253.73 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(5-methoxy-2-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168507830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).