3-hydroxy-3-pyrrolidin-2-yl-1H-indol-2-one

C12H14N2O2 — CID 83034122

IUPAC3-hydroxy-3-pyrrolidin-2-yl-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1(O)C1CCCN1
InChIInChI=1S/C12H14N2O2/c15-11-12(16,10-6-3-7-13-10)8-4-1-2-5-9(8)14-11/h1-2,4-5,10,13,16H,3,6-7H2,(H,14,15)
InChIKeyLIACWGZNHRKESV-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.58
Rot. Bonds1

About 3-hydroxy-3-pyrrolidin-2-yl-1H-indol-2-one

3-hydroxy-3-pyrrolidin-2-yl-1H-indol-2-one (PubChem CID 83034122) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-hydroxy-3-pyrrolidin-2-yl-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-pyrrolidin-2-yl-1H-indol-2-one
PubChem CID83034122
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-hydroxy-3-pyrrolidin-2-yl-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1(O)C1CCCN1
InChIInChI=1S/C12H14N2O2/c15-11-12(16,10-6-3-7-13-10)8-4-1-2-5-9(8)14-11/h1-2,4-5,10,13,16H,3,6-7H2,(H,14,15)
InChIKeyLIACWGZNHRKESV-UHFFFAOYSA-N
XLogP0.58
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-pyrrolidin-2-yl-1H-indol-2-one?
The IUPAC name of 3-hydroxy-3-pyrrolidin-2-yl-1H-indol-2-one (CID 83034122) is 3-hydroxy-3-pyrrolidin-2-yl-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-3-pyrrolidin-2-yl-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-3-pyrrolidin-2-yl-1H-indol-2-one is O=C1Nc2ccccc2C1(O)C1CCCN1.
What is the InChIKey of 3-hydroxy-3-pyrrolidin-2-yl-1H-indol-2-one?
The InChIKey is LIACWGZNHRKESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-11-12(16,10-6-3-7-13-10)8-4-1-2-5-9(8)14-11/h1-2,4-5,10,13,16H,3,6-7H2,(H,14,15).
What are the key properties of 3-hydroxy-3-pyrrolidin-2-yl-1H-indol-2-one?
3-hydroxy-3-pyrrolidin-2-yl-1H-indol-2-one has a molecular weight of 218.26 g/mol, XLogP of 0.58, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-pyrrolidin-2-yl-1H-indol-2-one is sourced from PubChem (CID 83034122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).