1-(3-oxo-1,2-dihydroinden-1-yl)pyrrolidin-2-one

C13H13NO2 — CID 11252890

IUPAC1-(3-oxo-1,2-dihydroinden-1-yl)pyrrolidin-2-one
SMILESO=C1CC(N2CCCC2=O)c2ccccc21
InChIInChI=1S/C13H13NO2/c15-12-8-11(14-7-3-6-13(14)16)9-4-1-2-5-10(9)12/h1-2,4-5,11H,3,6-8H2
InChIKeyVKHZZVYVHIFREV-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.94
Rot. Bonds1

About 1-(3-oxo-1,2-dihydroinden-1-yl)pyrrolidin-2-one

1-(3-oxo-1,2-dihydroinden-1-yl)pyrrolidin-2-one (PubChem CID 11252890) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-(3-oxo-1,2-dihydroinden-1-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-oxo-1,2-dihydroinden-1-yl)pyrrolidin-2-one
PubChem CID11252890
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-(3-oxo-1,2-dihydroinden-1-yl)pyrrolidin-2-one
SMILESO=C1CC(N2CCCC2=O)c2ccccc21
InChIInChI=1S/C13H13NO2/c15-12-8-11(14-7-3-6-13(14)16)9-4-1-2-5-10(9)12/h1-2,4-5,11H,3,6-8H2
InChIKeyVKHZZVYVHIFREV-UHFFFAOYSA-N
XLogP1.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-oxo-1,2-dihydroinden-1-yl)pyrrolidin-2-one?
The IUPAC name of 1-(3-oxo-1,2-dihydroinden-1-yl)pyrrolidin-2-one (CID 11252890) is 1-(3-oxo-1,2-dihydroinden-1-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-oxo-1,2-dihydroinden-1-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-oxo-1,2-dihydroinden-1-yl)pyrrolidin-2-one is O=C1CC(N2CCCC2=O)c2ccccc21.
What is the InChIKey of 1-(3-oxo-1,2-dihydroinden-1-yl)pyrrolidin-2-one?
The InChIKey is VKHZZVYVHIFREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c15-12-8-11(14-7-3-6-13(14)16)9-4-1-2-5-10(9)12/h1-2,4-5,11H,3,6-8H2.
What are the key properties of 1-(3-oxo-1,2-dihydroinden-1-yl)pyrrolidin-2-one?
1-(3-oxo-1,2-dihydroinden-1-yl)pyrrolidin-2-one has a molecular weight of 215.25 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxo-1,2-dihydroinden-1-yl)pyrrolidin-2-one is sourced from PubChem (CID 11252890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).