1-indol-1-yl-2-methylpropan-1-one

C12H13NO — CID 12637473

IUPAC1-indol-1-yl-2-methylpropan-1-one
SMILESCC(C)C(=O)n1ccc2ccccc21
InChIInChI=1S/C12H13NO/c1-9(2)12(14)13-8-7-10-5-3-4-6-11(10)13/h3-9H,1-2H3
InChIKeyGLYZLMRBFZYPKX-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.94
Rot. Bonds1

About 1-indol-1-yl-2-methylpropan-1-one

1-indol-1-yl-2-methylpropan-1-one (PubChem CID 12637473) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-indol-1-yl-2-methylpropan-1-one.

Molecular Properties

Compound Name1-indol-1-yl-2-methylpropan-1-one
PubChem CID12637473
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1-indol-1-yl-2-methylpropan-1-one
SMILESCC(C)C(=O)n1ccc2ccccc21
InChIInChI=1S/C12H13NO/c1-9(2)12(14)13-8-7-10-5-3-4-6-11(10)13/h3-9H,1-2H3
InChIKeyGLYZLMRBFZYPKX-UHFFFAOYSA-N
XLogP2.94
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-indol-1-yl-2-methylpropan-1-one?
The IUPAC name of 1-indol-1-yl-2-methylpropan-1-one (CID 12637473) is 1-indol-1-yl-2-methylpropan-1-one.
What is the SMILES notation for 1-indol-1-yl-2-methylpropan-1-one?
The canonical SMILES for 1-indol-1-yl-2-methylpropan-1-one is CC(C)C(=O)n1ccc2ccccc21.
What is the InChIKey of 1-indol-1-yl-2-methylpropan-1-one?
The InChIKey is GLYZLMRBFZYPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-9(2)12(14)13-8-7-10-5-3-4-6-11(10)13/h3-9H,1-2H3.
What are the key properties of 1-indol-1-yl-2-methylpropan-1-one?
1-indol-1-yl-2-methylpropan-1-one has a molecular weight of 187.24 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-indol-1-yl-2-methylpropan-1-one is sourced from PubChem (CID 12637473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).