1-(2H-indol-3-yl)-2-methylpropan-1-one

C12H13NO — CID 125301746

IUPAC1-(2H-indol-3-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1=c2ccccc2=NC1
InChIInChI=1S/C12H13NO/c1-8(2)12(14)10-7-13-11-6-4-3-5-9(10)11/h3-6,8H,7H2,1-2H3
InChIKeyKZNWFFIDUPPBDG-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.70
Rot. Bonds2

About 1-(2H-indol-3-yl)-2-methylpropan-1-one

1-(2H-indol-3-yl)-2-methylpropan-1-one (PubChem CID 125301746) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-(2H-indol-3-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2H-indol-3-yl)-2-methylpropan-1-one
PubChem CID125301746
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1-(2H-indol-3-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1=c2ccccc2=NC1
InChIInChI=1S/C12H13NO/c1-8(2)12(14)10-7-13-11-6-4-3-5-9(10)11/h3-6,8H,7H2,1-2H3
InChIKeyKZNWFFIDUPPBDG-UHFFFAOYSA-N
XLogP0.70
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-indol-3-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(2H-indol-3-yl)-2-methylpropan-1-one (CID 125301746) is 1-(2H-indol-3-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2H-indol-3-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2H-indol-3-yl)-2-methylpropan-1-one is CC(C)C(=O)C1=c2ccccc2=NC1.
What is the InChIKey of 1-(2H-indol-3-yl)-2-methylpropan-1-one?
The InChIKey is KZNWFFIDUPPBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-8(2)12(14)10-7-13-11-6-4-3-5-9(10)11/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-(2H-indol-3-yl)-2-methylpropan-1-one?
1-(2H-indol-3-yl)-2-methylpropan-1-one has a molecular weight of 187.24 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-indol-3-yl)-2-methylpropan-1-one is sourced from PubChem (CID 125301746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).