4-chloro-1-(1-methylindol-5-yl)pyrrolidin-2-one

C13H13ClN2O — CID 168688428

IUPAC4-chloro-1-(1-methylindol-5-yl)pyrrolidin-2-one
SMILESCn1ccc2cc(N3CC(Cl)CC3=O)ccc21
InChIInChI=1S/C13H13ClN2O/c1-15-5-4-9-6-11(2-3-12(9)15)16-8-10(14)7-13(16)17/h2-6,10H,7-8H2,1H3
InChIKeyYUGMLTMKFQCWJI-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.52
Rot. Bonds1

About 4-chloro-1-(1-methylindol-5-yl)pyrrolidin-2-one

4-chloro-1-(1-methylindol-5-yl)pyrrolidin-2-one (PubChem CID 168688428) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 4-chloro-1-(1-methylindol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(1-methylindol-5-yl)pyrrolidin-2-one
PubChem CID168688428
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name4-chloro-1-(1-methylindol-5-yl)pyrrolidin-2-one
SMILESCn1ccc2cc(N3CC(Cl)CC3=O)ccc21
InChIInChI=1S/C13H13ClN2O/c1-15-5-4-9-6-11(2-3-12(9)15)16-8-10(14)7-13(16)17/h2-6,10H,7-8H2,1H3
InChIKeyYUGMLTMKFQCWJI-UHFFFAOYSA-N
XLogP2.52
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.52
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 4-chloro-1-(1-methylindol-5-yl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(1-methylindol-5-yl)pyrrolidin-2-one (CID 168688428) is 4-chloro-1-(1-methylindol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(1-methylindol-5-yl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(1-methylindol-5-yl)pyrrolidin-2-one is Cn1ccc2cc(N3CC(Cl)CC3=O)ccc21.
What is the InChIKey of 4-chloro-1-(1-methylindol-5-yl)pyrrolidin-2-one?
The InChIKey is YUGMLTMKFQCWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-15-5-4-9-6-11(2-3-12(9)15)16-8-10(14)7-13(16)17/h2-6,10H,7-8H2,1H3.
What are the key properties of 4-chloro-1-(1-methylindol-5-yl)pyrrolidin-2-one?
4-chloro-1-(1-methylindol-5-yl)pyrrolidin-2-one has a molecular weight of 248.71 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(1-methylindol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 168688428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).