3-amino-3-(hydroxymethyl)-1H-indol-2-one

C9H10N2O2 — CID 141401929

IUPAC3-amino-3-(hydroxymethyl)-1H-indol-2-one
SMILESNC1(CO)C(=O)Nc2ccccc21
InChIInChI=1S/C9H10N2O2/c10-9(5-12)6-3-1-2-4-7(6)11-8(9)13/h1-4,12H,5,10H2,(H,11,13)
InChIKeyHPUOSBAFCGTELP-UHFFFAOYSA-N
MW178.19 g/mol
LogP-0.22
Rot. Bonds1

About 3-amino-3-(hydroxymethyl)-1H-indol-2-one

3-amino-3-(hydroxymethyl)-1H-indol-2-one (PubChem CID 141401929) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 3-amino-3-(hydroxymethyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-amino-3-(hydroxymethyl)-1H-indol-2-one
PubChem CID141401929
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name3-amino-3-(hydroxymethyl)-1H-indol-2-one
SMILESNC1(CO)C(=O)Nc2ccccc21
InChIInChI=1S/C9H10N2O2/c10-9(5-12)6-3-1-2-4-7(6)11-8(9)13/h1-4,12H,5,10H2,(H,11,13)
InChIKeyHPUOSBAFCGTELP-UHFFFAOYSA-N
XLogP-0.22
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(hydroxymethyl)-1H-indol-2-one?
The IUPAC name of 3-amino-3-(hydroxymethyl)-1H-indol-2-one (CID 141401929) is 3-amino-3-(hydroxymethyl)-1H-indol-2-one.
What is the SMILES notation for 3-amino-3-(hydroxymethyl)-1H-indol-2-one?
The canonical SMILES for 3-amino-3-(hydroxymethyl)-1H-indol-2-one is NC1(CO)C(=O)Nc2ccccc21.
What is the InChIKey of 3-amino-3-(hydroxymethyl)-1H-indol-2-one?
The InChIKey is HPUOSBAFCGTELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c10-9(5-12)6-3-1-2-4-7(6)11-8(9)13/h1-4,12H,5,10H2,(H,11,13).
What are the key properties of 3-amino-3-(hydroxymethyl)-1H-indol-2-one?
3-amino-3-(hydroxymethyl)-1H-indol-2-one has a molecular weight of 178.19 g/mol, XLogP of -0.22, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(hydroxymethyl)-1H-indol-2-one is sourced from PubChem (CID 141401929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).