acetic acid;2-methyl-3H-indole

C11H13NO2 — CID 123241059

IUPACacetic acid;2-methyl-3H-indole
SMILESCC(=O)O.CC1=Nc2ccccc2C1
InChIInChI=1S/C9H9N.C2H4O2/c1-7-6-8-4-2-3-5-9(8)10-7;1-2(3)4/h2-5H,6H2,1H3;1H3,(H,3,4)
InChIKeyVAKIMJANZWDDIU-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.43
Rot. Bonds

About acetic acid;2-methyl-3H-indole

acetic acid;2-methyl-3H-indole (PubChem CID 123241059) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is acetic acid;2-methyl-3H-indole.

Molecular Properties

Compound Nameacetic acid;2-methyl-3H-indole
PubChem CID123241059
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Nameacetic acid;2-methyl-3H-indole
SMILESCC(=O)O.CC1=Nc2ccccc2C1
InChIInChI=1S/C9H9N.C2H4O2/c1-7-6-8-4-2-3-5-9(8)10-7;1-2(3)4/h2-5H,6H2,1H3;1H3,(H,3,4)
InChIKeyVAKIMJANZWDDIU-UHFFFAOYSA-N
XLogP2.43
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 20813056
CID 20813056
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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-methyl-3H-indole?
The IUPAC name of acetic acid;2-methyl-3H-indole (CID 123241059) is acetic acid;2-methyl-3H-indole.
What is the SMILES notation for acetic acid;2-methyl-3H-indole?
The canonical SMILES for acetic acid;2-methyl-3H-indole is CC(=O)O.CC1=Nc2ccccc2C1.
What is the InChIKey of acetic acid;2-methyl-3H-indole?
The InChIKey is VAKIMJANZWDDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N.C2H4O2/c1-7-6-8-4-2-3-5-9(8)10-7;1-2(3)4/h2-5H,6H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-methyl-3H-indole?
acetic acid;2-methyl-3H-indole has a molecular weight of 191.23 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-methyl-3H-indole is sourced from PubChem (CID 123241059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).