4-chloro-1-(2,3-dimethylindazol-6-yl)pyrrolidin-2-one

C13H14ClN3O — CID 168688226

IUPAC4-chloro-1-(2,3-dimethylindazol-6-yl)pyrrolidin-2-one
SMILESCc1c2ccc(N3CC(Cl)CC3=O)cc2nn1C
InChIInChI=1S/C13H14ClN3O/c1-8-11-4-3-10(6-12(11)15-16(8)2)17-7-9(14)5-13(17)18/h3-4,6,9H,5,7H2,1-2H3
InChIKeyFDKJDALIVJDCOO-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.23
Rot. Bonds1

About 4-chloro-1-(2,3-dimethylindazol-6-yl)pyrrolidin-2-one

4-chloro-1-(2,3-dimethylindazol-6-yl)pyrrolidin-2-one (PubChem CID 168688226) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 4-chloro-1-(2,3-dimethylindazol-6-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(2,3-dimethylindazol-6-yl)pyrrolidin-2-one
PubChem CID168688226
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name4-chloro-1-(2,3-dimethylindazol-6-yl)pyrrolidin-2-one
SMILESCc1c2ccc(N3CC(Cl)CC3=O)cc2nn1C
InChIInChI=1S/C13H14ClN3O/c1-8-11-4-3-10(6-12(11)15-16(8)2)17-7-9(14)5-13(17)18/h3-4,6,9H,5,7H2,1-2H3
InChIKeyFDKJDALIVJDCOO-UHFFFAOYSA-N
XLogP2.23
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,1,3-benzothiadiazol-5-yl)-4-chloropyrrolidin-2-one
CID 168689724
4-chloro-1-(2-methylquinolin-6-yl)pyrrolidin-2-one
CID 168688156
1-(4-amino-3-methylphenyl)-4-chloropyrrolidin-2-one
CID 168688048
4-chloro-1-(1-methylindol-5-yl)pyrrolidin-2-one
CID 168688428
4-chloro-1-(2-methyl-1,3-benzothiazol-6-yl)pyrrolidin-2-one
CID 168688400
4-chloro-1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
CID 168688173
4-chloro-1-(4-chlorophenyl)pyrrolidin-2-one
CID 168689223
4-chloro-1-(4-iodophenyl)pyrrolidin-2-one
CID 168689225
4-chloro-1-(4-sulfanylphenyl)pyrrolidin-2-one
CID 168689243
1-(3-aminophenyl)-4-chloropyrrolidin-2-one
CID 168689822
4-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
CID 168689188
4-hydroxy-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one
CID 168702802

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2,3-dimethylindazol-6-yl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(2,3-dimethylindazol-6-yl)pyrrolidin-2-one (CID 168688226) is 4-chloro-1-(2,3-dimethylindazol-6-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(2,3-dimethylindazol-6-yl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(2,3-dimethylindazol-6-yl)pyrrolidin-2-one is Cc1c2ccc(N3CC(Cl)CC3=O)cc2nn1C.
What is the InChIKey of 4-chloro-1-(2,3-dimethylindazol-6-yl)pyrrolidin-2-one?
The InChIKey is FDKJDALIVJDCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-8-11-4-3-10(6-12(11)15-16(8)2)17-7-9(14)5-13(17)18/h3-4,6,9H,5,7H2,1-2H3.
What are the key properties of 4-chloro-1-(2,3-dimethylindazol-6-yl)pyrrolidin-2-one?
4-chloro-1-(2,3-dimethylindazol-6-yl)pyrrolidin-2-one has a molecular weight of 263.73 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2,3-dimethylindazol-6-yl)pyrrolidin-2-one is sourced from PubChem (CID 168688226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).