3-(3-hydroxypropylamino)-1-methyl-3H-indol-2-one

C12H16N2O2 — CID 82238882

IUPAC3-(3-hydroxypropylamino)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)C(NCCCO)c2ccccc21
InChIInChI=1S/C12H16N2O2/c1-14-10-6-3-2-5-9(10)11(12(14)16)13-7-4-8-15/h2-3,5-6,11,13,15H,4,7-8H2,1H3
InChIKeyVGJFHWHAPSHBRG-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.68
Rot. Bonds4

About 3-(3-hydroxypropylamino)-1-methyl-3H-indol-2-one

3-(3-hydroxypropylamino)-1-methyl-3H-indol-2-one (PubChem CID 82238882) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-(3-hydroxypropylamino)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name3-(3-hydroxypropylamino)-1-methyl-3H-indol-2-one
PubChem CID82238882
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-(3-hydroxypropylamino)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)C(NCCCO)c2ccccc21
InChIInChI=1S/C12H16N2O2/c1-14-10-6-3-2-5-9(10)11(12(14)16)13-7-4-8-15/h2-3,5-6,11,13,15H,4,7-8H2,1H3
InChIKeyVGJFHWHAPSHBRG-UHFFFAOYSA-N
XLogP0.68
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropylamino)-1-methyl-3H-indol-2-one?
The IUPAC name of 3-(3-hydroxypropylamino)-1-methyl-3H-indol-2-one (CID 82238882) is 3-(3-hydroxypropylamino)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 3-(3-hydroxypropylamino)-1-methyl-3H-indol-2-one?
The canonical SMILES for 3-(3-hydroxypropylamino)-1-methyl-3H-indol-2-one is CN1C(=O)C(NCCCO)c2ccccc21.
What is the InChIKey of 3-(3-hydroxypropylamino)-1-methyl-3H-indol-2-one?
The InChIKey is VGJFHWHAPSHBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14-10-6-3-2-5-9(10)11(12(14)16)13-7-4-8-15/h2-3,5-6,11,13,15H,4,7-8H2,1H3.
What are the key properties of 3-(3-hydroxypropylamino)-1-methyl-3H-indol-2-one?
3-(3-hydroxypropylamino)-1-methyl-3H-indol-2-one has a molecular weight of 220.27 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropylamino)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 82238882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).