1-(2H-indol-3-yl)ethanone

C10H9NO — CID 97050004

IUPAC1-(2H-indol-3-yl)ethanone
SMILESCC(=O)C1=c2ccccc2=NC1
InChIInChI=1S/C10H9NO/c1-7(12)9-6-11-10-5-3-2-4-8(9)10/h2-5H,6H2,1H3
InChIKeyIKNVKDKYZUGHBR-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.06
Rot. Bonds1

About 1-(2H-indol-3-yl)ethanone

1-(2H-indol-3-yl)ethanone (PubChem CID 97050004) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 1-(2H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2H-indol-3-yl)ethanone
PubChem CID97050004
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name1-(2H-indol-3-yl)ethanone
SMILESCC(=O)C1=c2ccccc2=NC1
InChIInChI=1S/C10H9NO/c1-7(12)9-6-11-10-5-3-2-4-8(9)10/h2-5H,6H2,1H3
InChIKeyIKNVKDKYZUGHBR-UHFFFAOYSA-N
XLogP0.06
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Carbazol-4-one
CID 17898003
Carbazol-4-one hydrochloride
CID 17898002
2-Methylindol-4-one
CID 19850284
3-Methylindol-5-one
CID 19860584
1-Methylcarbazol-4-one
CID 19969783
1-Methylcarbazol-4-one;hydrochloride
CID 20152451
3-Ethylindol-2-one
CID 21986279
1-(3-buta-1,3-dienyl-2H-pyrrol-5-yl)ethanone;yttrium
CID 57571666
2-Methylquinolin-3(2H)-one
CID 73011166
2H-indole-3-carbaldehyde
CID 124419033
1-(2H-indol-3-yl)-2-methylpropan-1-one
CID 125301746
3-Acetylindol-2-one
CID 130031888

Frequently Asked Questions

What is the IUPAC name of 1-(2H-indol-3-yl)ethanone?
The IUPAC name of 1-(2H-indol-3-yl)ethanone (CID 97050004) is 1-(2H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(2H-indol-3-yl)ethanone?
The canonical SMILES for 1-(2H-indol-3-yl)ethanone is CC(=O)C1=c2ccccc2=NC1.
What is the InChIKey of 1-(2H-indol-3-yl)ethanone?
The InChIKey is IKNVKDKYZUGHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-7(12)9-6-11-10-5-3-2-4-8(9)10/h2-5H,6H2,1H3.
What are the key properties of 1-(2H-indol-3-yl)ethanone?
1-(2H-indol-3-yl)ethanone has a molecular weight of 159.19 g/mol, XLogP of 0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-indol-3-yl)ethanone is sourced from PubChem (CID 97050004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).