4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one

C13H16N2O2 — CID 106181808

IUPAC4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one
SMILESO=C1CC(NC2CCc3c(O)cccc32)CN1
InChIInChI=1S/C13H16N2O2/c16-12-3-1-2-9-10(12)4-5-11(9)15-8-6-13(17)14-7-8/h1-3,8,11,15-16H,4-7H2,(H,14,17)
InChIKeyYPUYWVIDQKWEJG-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.86
Rot. Bonds2

About 4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one

4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one (PubChem CID 106181808) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one
PubChem CID106181808
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one
SMILESO=C1CC(NC2CCc3c(O)cccc32)CN1
InChIInChI=1S/C13H16N2O2/c16-12-3-1-2-9-10(12)4-5-11(9)15-8-6-13(17)14-7-8/h1-3,8,11,15-16H,4-7H2,(H,14,17)
InChIKeyYPUYWVIDQKWEJG-UHFFFAOYSA-N
XLogP0.86
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one?
The IUPAC name of 4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one (CID 106181808) is 4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one is O=C1CC(NC2CCc3c(O)cccc32)CN1.
What is the InChIKey of 4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one?
The InChIKey is YPUYWVIDQKWEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-12-3-1-2-9-10(12)4-5-11(9)15-8-6-13(17)14-7-8/h1-3,8,11,15-16H,4-7H2,(H,14,17).
What are the key properties of 4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one?
4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one has a molecular weight of 232.28 g/mol, XLogP of 0.86, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 106181808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).