7-hydroxy-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one

C13H16N2O2 — CID 105490958

IUPAC7-hydroxy-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one
SMILESO=C1Cc2cccc(O)c2N1CC1CCCN1
InChIInChI=1S/C13H16N2O2/c16-11-5-1-3-9-7-12(17)15(13(9)11)8-10-4-2-6-14-10/h1,3,5,10,14,16H,2,4,6-8H2
InChIKeyDRFSHYSQHDQHMC-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.03
Rot. Bonds2

About 7-hydroxy-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one

7-hydroxy-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one (PubChem CID 105490958) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 7-hydroxy-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one.

Molecular Properties

Compound Name7-hydroxy-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one
PubChem CID105490958
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name7-hydroxy-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one
SMILESO=C1Cc2cccc(O)c2N1CC1CCCN1
InChIInChI=1S/C13H16N2O2/c16-11-5-1-3-9-7-12(17)15(13(9)11)8-10-4-2-6-14-10/h1,3,5,10,14,16H,2,4,6-8H2
InChIKeyDRFSHYSQHDQHMC-UHFFFAOYSA-N
XLogP1.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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4,4-dimethyl-1-(pyrrolidin-2-ylmethyl)piperidine-2,6-dione
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3-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine
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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one?
The IUPAC name of 7-hydroxy-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one (CID 105490958) is 7-hydroxy-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one.
What is the SMILES notation for 7-hydroxy-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one?
The canonical SMILES for 7-hydroxy-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one is O=C1Cc2cccc(O)c2N1CC1CCCN1.
What is the InChIKey of 7-hydroxy-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one?
The InChIKey is DRFSHYSQHDQHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-11-5-1-3-9-7-12(17)15(13(9)11)8-10-4-2-6-14-10/h1,3,5,10,14,16H,2,4,6-8H2.
What are the key properties of 7-hydroxy-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one?
7-hydroxy-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one has a molecular weight of 232.28 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one is sourced from PubChem (CID 105490958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).