1-(4-propan-2-ylindol-1-yl)ethanone

C13H15NO — CID 130210312

IUPAC1-(4-propan-2-ylindol-1-yl)ethanone
SMILESCC(=O)n1ccc2c(C(C)C)cccc21
InChIInChI=1S/C13H15NO/c1-9(2)11-5-4-6-13-12(11)7-8-14(13)10(3)15/h4-9H,1-3H3
InChIKeyPWGLBDSQABUNDF-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.42
Rot. Bonds1

About 1-(4-propan-2-ylindol-1-yl)ethanone

1-(4-propan-2-ylindol-1-yl)ethanone (PubChem CID 130210312) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(4-propan-2-ylindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-propan-2-ylindol-1-yl)ethanone
PubChem CID130210312
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-(4-propan-2-ylindol-1-yl)ethanone
SMILESCC(=O)n1ccc2c(C(C)C)cccc21
InChIInChI=1S/C13H15NO/c1-9(2)11-5-4-6-13-12(11)7-8-14(13)10(3)15/h4-9H,1-3H3
InChIKeyPWGLBDSQABUNDF-UHFFFAOYSA-N
XLogP3.42
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-propan-2-ylindol-1-yl)prop-2-en-1-one
CID 139528285
methyl 2-(1-methylindol-4-yl)propanoate
CID 102374940
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
[2,6-di(propan-2-yl)phenoxy]sulfonyl acetate
CID 57208791
[2,6-di(propan-2-yl)phenyl] N-hydroxycarbamate
CID 117064047
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
1-(2-hydroxy-6-propan-2-ylphenyl)ethanone
CID 130031479
1-acetyl-5-methoxy-N-(2-methyl-6-propan-2-ylphenyl)indole-3-carboxamide
CID 113212789
1-acetyl-N-[1-(2-chlorophenyl)ethyl]indole-3-carboxamide
CID 175153955
(2-butan-2-yl-6-propan-2-ylphenyl) acetate
CID 172616842
[2,6-di(propan-2-yl)phenyl] pyrrolidine-1-carboxylate
CID 67493330
2-amino-1-(4-fluoroindol-1-yl)ethanone;hydrochloride
CID 23659103

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylindol-1-yl)ethanone?
The IUPAC name of 1-(4-propan-2-ylindol-1-yl)ethanone (CID 130210312) is 1-(4-propan-2-ylindol-1-yl)ethanone.
What is the SMILES notation for 1-(4-propan-2-ylindol-1-yl)ethanone?
The canonical SMILES for 1-(4-propan-2-ylindol-1-yl)ethanone is CC(=O)n1ccc2c(C(C)C)cccc21.
What is the InChIKey of 1-(4-propan-2-ylindol-1-yl)ethanone?
The InChIKey is PWGLBDSQABUNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-9(2)11-5-4-6-13-12(11)7-8-14(13)10(3)15/h4-9H,1-3H3.
What are the key properties of 1-(4-propan-2-ylindol-1-yl)ethanone?
1-(4-propan-2-ylindol-1-yl)ethanone has a molecular weight of 201.27 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylindol-1-yl)ethanone is sourced from PubChem (CID 130210312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).