1H-indol-3-yl acetate

C10H9NO2 — CID 11841

IUPAC1H-indol-3-yl acetate
SMILESCC(=O)Oc1c[nH]c2ccccc12
InChIInChI=1S/C10H9NO2/c1-7(12)13-10-6-11-9-5-3-2-4-8(9)10/h2-6,11H,1H3
InChIKeyJBOPQACSHPPKEP-UHFFFAOYSA-N
MW175.19 g/mol
LogP2.09
Rot. Bonds1

About 1H-indol-3-yl acetate

1H-indol-3-yl acetate (PubChem CID 11841) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 1H-indol-3-yl acetate.

Molecular Properties

Compound Name1H-indol-3-yl acetate
PubChem CID11841
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name1H-indol-3-yl acetate
SMILESCC(=O)Oc1c[nH]c2ccccc12
InChIInChI=1S/C10H9NO2/c1-7(12)13-10-6-11-9-5-3-2-4-8(9)10/h2-6,11H,1H3
InChIKeyJBOPQACSHPPKEP-UHFFFAOYSA-N
XLogP2.09
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Indoxyl Sulfate
CID 10258
Indoxyl-beta-D-glucoside
CID 441564
5-Methoxyindole
CID 13872
Indoxyl
CID 50591
3-indoxyl sulfate potassium salt
CID 5177095
4-Methoxy-1H-indole
CID 138363
2-(2-Aminoethyl)-5-methoxyindole
CID 17654
6-Methoxy-1H-indole
CID 76659
(3-(2-(diethylamino)ethyl)-1H-indol-4-yl) acetate
CID 24801867
4-(phenylmethoxy)-1H-indole
CID 88465
2-(7-methoxy-1H-indol-3-yl)ethan-1-amine
CID 17087
O-Acetylpsilocin
CID 15429212

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl acetate?
The IUPAC name of 1H-indol-3-yl acetate (CID 11841) is 1H-indol-3-yl acetate.
What is the SMILES notation for 1H-indol-3-yl acetate?
The canonical SMILES for 1H-indol-3-yl acetate is CC(=O)Oc1c[nH]c2ccccc12.
What is the InChIKey of 1H-indol-3-yl acetate?
The InChIKey is JBOPQACSHPPKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-7(12)13-10-6-11-9-5-3-2-4-8(9)10/h2-6,11H,1H3.
What are the key properties of 1H-indol-3-yl acetate?
1H-indol-3-yl acetate has a molecular weight of 175.19 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl acetate is sourced from PubChem (CID 11841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).