1-(1H-indol-3-yl)ethanone

C10H9NO — CID 12802

IUPAC1-(1H-indol-3-yl)ethanone
SMILESCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C10H9NO/c1-7(12)9-6-11-10-5-3-2-4-8(9)10/h2-6,11H,1H3
InChIKeyVUIMBZIZZFSQEE-UHFFFAOYSA-N
MW159.19 g/mol
LogP2.37
Rot. Bonds1

About 1-(1H-indol-3-yl)ethanone

1-(1H-indol-3-yl)ethanone (PubChem CID 12802) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(1H-indol-3-yl)ethanone
PubChem CID12802
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name1-(1H-indol-3-yl)ethanone
SMILESCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C10H9NO/c1-7(12)9-6-11-10-5-3-2-4-8(9)10/h2-6,11H,1H3
InChIKeyVUIMBZIZZFSQEE-UHFFFAOYSA-N
XLogP2.37
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Indole-3-Butyric Acid
CID 8617
Skatole
CID 6736
Jwh 018
CID 10382701
(1-Butyl-1H-indol-3-yl)-1-naphthalenylmethanone
CID 10471670
Indole-3-Carboxaldehyde
CID 10256
Indoramin
CID 33625
Methyltryptamine
CID 6088
Indole-3-Carboxylic Acid
CID 69867
Jwh 122
CID 44466638
Xlr 11
CID 57501498
(4-Ethyl-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 45270396
(1-pentyl-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 44626619

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-(1H-indol-3-yl)ethanone (CID 12802) is 1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(1H-indol-3-yl)ethanone is CC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-yl)ethanone?
The InChIKey is VUIMBZIZZFSQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-7(12)9-6-11-10-5-3-2-4-8(9)10/h2-6,11H,1H3.
What are the key properties of 1-(1H-indol-3-yl)ethanone?
1-(1H-indol-3-yl)ethanone has a molecular weight of 159.19 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 12802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).