(6-amino-1H-indol-2-yl) acetate

C10H10N2O2 — CID 174672412

IUPAC(6-amino-1H-indol-2-yl) acetate
SMILESCC(=O)Oc1cc2ccc(N)cc2[nH]1
InChIInChI=1S/C10H10N2O2/c1-6(13)14-10-4-7-2-3-8(11)5-9(7)12-10/h2-5,12H,11H2,1H3
InChIKeyWACBRYGACSPWSO-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.68
Rot. Bonds1

About (6-amino-1H-indol-2-yl) acetate

(6-amino-1H-indol-2-yl) acetate (PubChem CID 174672412) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is (6-amino-1H-indol-2-yl) acetate.

Molecular Properties

Compound Name(6-amino-1H-indol-2-yl) acetate
PubChem CID174672412
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name(6-amino-1H-indol-2-yl) acetate
SMILESCC(=O)Oc1cc2ccc(N)cc2[nH]1
InChIInChI=1S/C10H10N2O2/c1-6(13)14-10-4-7-2-3-8(11)5-9(7)12-10/h2-5,12H,11H2,1H3
InChIKeyWACBRYGACSPWSO-UHFFFAOYSA-N
XLogP1.68
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-amino-1H-indol-2-yl) acetate?
The IUPAC name of (6-amino-1H-indol-2-yl) acetate (CID 174672412) is (6-amino-1H-indol-2-yl) acetate.
What is the SMILES notation for (6-amino-1H-indol-2-yl) acetate?
The canonical SMILES for (6-amino-1H-indol-2-yl) acetate is CC(=O)Oc1cc2ccc(N)cc2[nH]1.
What is the InChIKey of (6-amino-1H-indol-2-yl) acetate?
The InChIKey is WACBRYGACSPWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-6(13)14-10-4-7-2-3-8(11)5-9(7)12-10/h2-5,12H,11H2,1H3.
What are the key properties of (6-amino-1H-indol-2-yl) acetate?
(6-amino-1H-indol-2-yl) acetate has a molecular weight of 190.20 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-1H-indol-2-yl) acetate is sourced from PubChem (CID 174672412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).