2-methyl-1-(1-methylindol-5-yl)propan-1-one

C13H15NO — CID 83388491

IUPAC2-methyl-1-(1-methylindol-5-yl)propan-1-one
SMILESCC(C)C(=O)c1ccc2c(ccn2C)c1
InChIInChI=1S/C13H15NO/c1-9(2)13(15)11-4-5-12-10(8-11)6-7-14(12)3/h4-9H,1-3H3
InChIKeyBWNRBMVZMLUKOX-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.02
Rot. Bonds2

About 2-methyl-1-(1-methylindol-5-yl)propan-1-one

2-methyl-1-(1-methylindol-5-yl)propan-1-one (PubChem CID 83388491) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-methyl-1-(1-methylindol-5-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(1-methylindol-5-yl)propan-1-one
PubChem CID83388491
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2-methyl-1-(1-methylindol-5-yl)propan-1-one
SMILESCC(C)C(=O)c1ccc2c(ccn2C)c1
InChIInChI=1S/C13H15NO/c1-9(2)13(15)11-4-5-12-10(8-11)6-7-14(12)3/h4-9H,1-3H3
InChIKeyBWNRBMVZMLUKOX-UHFFFAOYSA-N
XLogP3.02
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(1-methylindole-5-carbonyl)amino]propanoate
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CID 112520448
bis(1-methylindol-5-yl)borinic acid
CID 140671665
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1-(6-bromonaphthalen-2-yl)-2-methylpropan-1-one
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(4-amino-3-methylpyrazol-1-yl)-(1-methylindol-5-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methylindol-5-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(1-methylindol-5-yl)propan-1-one (CID 83388491) is 2-methyl-1-(1-methylindol-5-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(1-methylindol-5-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(1-methylindol-5-yl)propan-1-one is CC(C)C(=O)c1ccc2c(ccn2C)c1.
What is the InChIKey of 2-methyl-1-(1-methylindol-5-yl)propan-1-one?
The InChIKey is BWNRBMVZMLUKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-9(2)13(15)11-4-5-12-10(8-11)6-7-14(12)3/h4-9H,1-3H3.
What are the key properties of 2-methyl-1-(1-methylindol-5-yl)propan-1-one?
2-methyl-1-(1-methylindol-5-yl)propan-1-one has a molecular weight of 201.27 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methylindol-5-yl)propan-1-one is sourced from PubChem (CID 83388491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).