1-(1-methyl-4-propan-2-yloxyindol-2-yl)ethanone

C14H17NO2 — CID 83918556

IUPAC1-(1-methyl-4-propan-2-yloxyindol-2-yl)ethanone
SMILESCC(=O)c1cc2c(OC(C)C)cccc2n1C
InChIInChI=1S/C14H17NO2/c1-9(2)17-14-7-5-6-12-11(14)8-13(10(3)16)15(12)4/h5-9H,1-4H3
InChIKeyCWDUYQBKMQWJKL-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.17
Rot. Bonds3

About 1-(1-methyl-4-propan-2-yloxyindol-2-yl)ethanone

1-(1-methyl-4-propan-2-yloxyindol-2-yl)ethanone (PubChem CID 83918556) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-(1-methyl-4-propan-2-yloxyindol-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-methyl-4-propan-2-yloxyindol-2-yl)ethanone
PubChem CID83918556
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1-(1-methyl-4-propan-2-yloxyindol-2-yl)ethanone
SMILESCC(=O)c1cc2c(OC(C)C)cccc2n1C
InChIInChI=1S/C14H17NO2/c1-9(2)17-14-7-5-6-12-11(14)8-13(10(3)16)15(12)4/h5-9H,1-4H3
InChIKeyCWDUYQBKMQWJKL-UHFFFAOYSA-N
XLogP3.17
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2,3-di(propan-2-yloxy)phenyl] acetate
CID 19833391
5-(4-propan-2-yloxyindol-1-yl)pentanoic acid
CID 83163319
1-(3-methylbut-3-enyl)-4-propan-2-yloxyindole
CID 114476720
(Z)-2-methyl-4-(4-propan-2-yloxyindol-1-yl)but-2-enoic acid
CID 83163478
(2S)-2-[(4-hydroxy-1-methylindole-2-carbonyl)amino]propanoic acid
CID 110835775
CID 89047150
CID 89047150
ethyl 2-(4-propan-2-yloxyindol-1-yl)acetate
CID 83162471
4-propan-2-yloxy-1-benzofuran-2-carboxylic acid
CID 68711544
4-propan-2-yloxy-1H-indole-2-carboxylic acid
CID 66841602
4-methoxy-1-(3-methylbutyl)indole-2-carboxamide
CID 175749965
1-hept-6-enyl-4-propan-2-yloxyindole
CID 107010208
1-ethyl-4-oxo-8-propan-2-yloxyquinoline-2-carboxylic acid
CID 82248172

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-4-propan-2-yloxyindol-2-yl)ethanone?
The IUPAC name of 1-(1-methyl-4-propan-2-yloxyindol-2-yl)ethanone (CID 83918556) is 1-(1-methyl-4-propan-2-yloxyindol-2-yl)ethanone.
What is the SMILES notation for 1-(1-methyl-4-propan-2-yloxyindol-2-yl)ethanone?
The canonical SMILES for 1-(1-methyl-4-propan-2-yloxyindol-2-yl)ethanone is CC(=O)c1cc2c(OC(C)C)cccc2n1C.
What is the InChIKey of 1-(1-methyl-4-propan-2-yloxyindol-2-yl)ethanone?
The InChIKey is CWDUYQBKMQWJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9(2)17-14-7-5-6-12-11(14)8-13(10(3)16)15(12)4/h5-9H,1-4H3.
What are the key properties of 1-(1-methyl-4-propan-2-yloxyindol-2-yl)ethanone?
1-(1-methyl-4-propan-2-yloxyindol-2-yl)ethanone has a molecular weight of 231.29 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-4-propan-2-yloxyindol-2-yl)ethanone is sourced from PubChem (CID 83918556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).