1-(3-ethylindol-1-yl)-2-iodoethanone

C12H12INO — CID 142121181

IUPAC1-(3-ethylindol-1-yl)-2-iodoethanone
SMILESCCc1cn(C(=O)CI)c2ccccc12
InChIInChI=1S/C12H12INO/c1-2-9-8-14(12(15)7-13)11-6-4-3-5-10(9)11/h3-6,8H,2,7H2,1H3
InChIKeyWNNGLNWVBRXXRS-UHFFFAOYSA-N
MW313.14 g/mol
LogP3.28
Rot. Bonds2

About 1-(3-ethylindol-1-yl)-2-iodoethanone

1-(3-ethylindol-1-yl)-2-iodoethanone (PubChem CID 142121181) has the molecular formula C12H12INO and a molecular weight of 313.14 g/mol. Its IUPAC name is 1-(3-ethylindol-1-yl)-2-iodoethanone.

Molecular Properties

Compound Name1-(3-ethylindol-1-yl)-2-iodoethanone
PubChem CID142121181
Molecular FormulaC12H12INO
Molecular Weight313.14 g/mol
Exact Mass313.00
IUPAC Name1-(3-ethylindol-1-yl)-2-iodoethanone
SMILESCCc1cn(C(=O)CI)c2ccccc12
InChIInChI=1S/C12H12INO/c1-2-9-8-14(12(15)7-13)11-6-4-3-5-10(9)11/h3-6,8H,2,7H2,1H3
InChIKeyWNNGLNWVBRXXRS-UHFFFAOYSA-N
XLogP3.28
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(hydroxymethyl)indol-1-yl]ethanone
CID 24819149
[3-(bromomethyl)indol-1-yl]-phenylmethanone
CID 14948482
[3-(aminomethyl)indol-1-yl]-phenylmethanone;hydrochloride
CID 12504715
2-(1-acetylindol-3-yl)-1-phenylethanone
CID 15749679
2-(dimethylamino)-1-[3-[2-(dimethylamino)ethyl]indol-1-yl]ethanone;hydrochloride
CID 166467543
ethyl 2-(3-ethylindol-1-yl)acetate
CID 59177495
1-propanoylindole-3-carbohydrazide
CID 91690174
2-(1-methoxycarbonylindol-3-yl)acetic acid
CID 58375530
2-[1-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyl]indol-3-yl]acetic acid
CID 66690919
methyl 3-(aminomethyl)indole-1-carboxylate
CID 155065457
1-[3-[2-(dimethylamino)ethyl]indol-1-yl]octadecan-1-one
CID 166138351
1-[3-[2-(dimethylamino)ethyl]indol-1-yl]hexadecan-1-one
CID 166138506

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylindol-1-yl)-2-iodoethanone?
The IUPAC name of 1-(3-ethylindol-1-yl)-2-iodoethanone (CID 142121181) is 1-(3-ethylindol-1-yl)-2-iodoethanone.
What is the SMILES notation for 1-(3-ethylindol-1-yl)-2-iodoethanone?
The canonical SMILES for 1-(3-ethylindol-1-yl)-2-iodoethanone is CCc1cn(C(=O)CI)c2ccccc12.
What is the InChIKey of 1-(3-ethylindol-1-yl)-2-iodoethanone?
The InChIKey is WNNGLNWVBRXXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12INO/c1-2-9-8-14(12(15)7-13)11-6-4-3-5-10(9)11/h3-6,8H,2,7H2,1H3.
What are the key properties of 1-(3-ethylindol-1-yl)-2-iodoethanone?
1-(3-ethylindol-1-yl)-2-iodoethanone has a molecular weight of 313.14 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylindol-1-yl)-2-iodoethanone is sourced from PubChem (CID 142121181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).