1-(2-methyl-1H-indol-3-yl)propan-1-one

C12H13NO — CID 3484860

IUPAC1-(2-methyl-1H-indol-3-yl)propan-1-one
SMILESCCC(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C12H13NO/c1-3-11(14)12-8(2)13-10-7-5-4-6-9(10)12/h4-7,13H,3H2,1-2H3
InChIKeyWLQTXDOOTSNIRO-UHFFFAOYSA-N
MW187.24 g/mol
LogP3.07
Rot. Bonds2

About 1-(2-methyl-1H-indol-3-yl)propan-1-one

1-(2-methyl-1H-indol-3-yl)propan-1-one (PubChem CID 3484860) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-(2-methyl-1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-methyl-1H-indol-3-yl)propan-1-one
PubChem CID3484860
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1-(2-methyl-1H-indol-3-yl)propan-1-one
SMILESCCC(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C12H13NO/c1-3-11(14)12-8(2)13-10-7-5-4-6-9(10)12/h4-7,13H,3H2,1-2H3
InChIKeyWLQTXDOOTSNIRO-UHFFFAOYSA-N
XLogP3.07
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1H-indol-3-yl)propan-1-one?
The IUPAC name of 1-(2-methyl-1H-indol-3-yl)propan-1-one (CID 3484860) is 1-(2-methyl-1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 1-(2-methyl-1H-indol-3-yl)propan-1-one?
The canonical SMILES for 1-(2-methyl-1H-indol-3-yl)propan-1-one is CCC(=O)c1c(C)[nH]c2ccccc12.
What is the InChIKey of 1-(2-methyl-1H-indol-3-yl)propan-1-one?
The InChIKey is WLQTXDOOTSNIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-3-11(14)12-8(2)13-10-7-5-4-6-9(10)12/h4-7,13H,3H2,1-2H3.
What are the key properties of 1-(2-methyl-1H-indol-3-yl)propan-1-one?
1-(2-methyl-1H-indol-3-yl)propan-1-one has a molecular weight of 187.24 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 3484860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).