3-(5-chloroindol-1-yl)pyrrolidin-2-one

C12H11ClN2O — CID 141178980

IUPAC3-(5-chloroindol-1-yl)pyrrolidin-2-one
SMILESO=C1NCCC1n1ccc2cc(Cl)ccc21
InChIInChI=1S/C12H11ClN2O/c13-9-1-2-10-8(7-9)4-6-15(10)11-3-5-14-12(11)16/h1-2,4,6-7,11H,3,5H2,(H,14,16)
InChIKeyUIYTZXPUMBFKRH-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.36
Rot. Bonds1

About 3-(5-chloroindol-1-yl)pyrrolidin-2-one

3-(5-chloroindol-1-yl)pyrrolidin-2-one (PubChem CID 141178980) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 3-(5-chloroindol-1-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(5-chloroindol-1-yl)pyrrolidin-2-one
PubChem CID141178980
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name3-(5-chloroindol-1-yl)pyrrolidin-2-one
SMILESO=C1NCCC1n1ccc2cc(Cl)ccc21
InChIInChI=1S/C12H11ClN2O/c13-9-1-2-10-8(7-9)4-6-15(10)11-3-5-14-12(11)16/h1-2,4,6-7,11H,3,5H2,(H,14,16)
InChIKeyUIYTZXPUMBFKRH-UHFFFAOYSA-N
XLogP2.36
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloroindol-1-yl)pyrrolidin-2-one?
The IUPAC name of 3-(5-chloroindol-1-yl)pyrrolidin-2-one (CID 141178980) is 3-(5-chloroindol-1-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-(5-chloroindol-1-yl)pyrrolidin-2-one?
The canonical SMILES for 3-(5-chloroindol-1-yl)pyrrolidin-2-one is O=C1NCCC1n1ccc2cc(Cl)ccc21.
What is the InChIKey of 3-(5-chloroindol-1-yl)pyrrolidin-2-one?
The InChIKey is UIYTZXPUMBFKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-9-1-2-10-8(7-9)4-6-15(10)11-3-5-14-12(11)16/h1-2,4,6-7,11H,3,5H2,(H,14,16).
What are the key properties of 3-(5-chloroindol-1-yl)pyrrolidin-2-one?
3-(5-chloroindol-1-yl)pyrrolidin-2-one has a molecular weight of 234.69 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloroindol-1-yl)pyrrolidin-2-one is sourced from PubChem (CID 141178980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).