acetic acid;2-ethyl-1-methylindole

C13H17NO2 — CID 70581856

IUPACacetic acid;2-ethyl-1-methylindole
SMILESCC(=O)O.CCc1cc2ccccc2n1C
InChIInChI=1S/C11H13N.C2H4O2/c1-3-10-8-9-6-4-5-7-11(9)12(10)2;1-2(3)4/h4-8H,3H2,1-2H3;1H3,(H,3,4)
InChIKeySUXFQSUSJPTCSM-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.83
Rot. Bonds1

About acetic acid;2-ethyl-1-methylindole

acetic acid;2-ethyl-1-methylindole (PubChem CID 70581856) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is acetic acid;2-ethyl-1-methylindole.

Molecular Properties

Compound Nameacetic acid;2-ethyl-1-methylindole
PubChem CID70581856
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Nameacetic acid;2-ethyl-1-methylindole
SMILESCC(=O)O.CCc1cc2ccccc2n1C
InChIInChI=1S/C11H13N.C2H4O2/c1-3-10-8-9-6-4-5-7-11(9)12(10)2;1-2(3)4/h4-8H,3H2,1-2H3;1H3,(H,3,4)
InChIKeySUXFQSUSJPTCSM-UHFFFAOYSA-N
XLogP2.83
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(1-methylindol-2-yl)acetamide
CID 139935396
1-methyl-2-propylindole
CID 13170349
2-(ethylsulfonylmethyl)-1-methylindole
CID 117173182
N-[(1-methylindol-2-yl)methyl]hydroxylamine
CID 82653727
2-ethyl-1-hydroxyindole
CID 22747467
2-(bromomethyl)-1-methylindole
CID 58970525
4-[(1-methylindol-2-yl)methyl]piperazine-1-carboxylic acid
CID 142781838
1-methyl-2-(4-methylpent-4-enyl)indole
CID 71374623
[(2S)-1-hydroxy-3,3-dimethyl-2-[(1-methylindol-2-yl)methyl]butan-2-yl]carbamic acid
CID 69112709
N-(1-hydroxy-2-methylpropan-2-yl)-2-(1-methylindol-2-yl)acetamide
CID 171979997
2-ethyl-1-methylquinolin-4-one
CID 15733010
1-(1-ethylindol-2-yl)propan-2-one
CID 115107033

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-ethyl-1-methylindole?
The IUPAC name of acetic acid;2-ethyl-1-methylindole (CID 70581856) is acetic acid;2-ethyl-1-methylindole.
What is the SMILES notation for acetic acid;2-ethyl-1-methylindole?
The canonical SMILES for acetic acid;2-ethyl-1-methylindole is CC(=O)O.CCc1cc2ccccc2n1C.
What is the InChIKey of acetic acid;2-ethyl-1-methylindole?
The InChIKey is SUXFQSUSJPTCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.C2H4O2/c1-3-10-8-9-6-4-5-7-11(9)12(10)2;1-2(3)4/h4-8H,3H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-ethyl-1-methylindole?
acetic acid;2-ethyl-1-methylindole has a molecular weight of 219.28 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-ethyl-1-methylindole is sourced from PubChem (CID 70581856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).