5-acetyl-1-methyl-6,7-dihydro-5H-indol-4-one

C11H13NO2 — CID 5274448

IUPAC5-acetyl-1-methyl-6,7-dihydro-5H-indol-4-one
SMILESCC(=O)C1CCc2c(ccn2C)C1=O
InChIInChI=1S/C11H13NO2/c1-7(13)8-3-4-10-9(11(8)14)5-6-12(10)2/h5-6,8H,3-4H2,1-2H3
InChIKeyRUANHZRKJZGKSY-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.36
Rot. Bonds1

About 5-acetyl-1-methyl-6,7-dihydro-5H-indol-4-one

5-acetyl-1-methyl-6,7-dihydro-5H-indol-4-one (PubChem CID 5274448) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-acetyl-1-methyl-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name5-acetyl-1-methyl-6,7-dihydro-5H-indol-4-one
PubChem CID5274448
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name5-acetyl-1-methyl-6,7-dihydro-5H-indol-4-one
SMILESCC(=O)C1CCc2c(ccn2C)C1=O
InChIInChI=1S/C11H13NO2/c1-7(13)8-3-4-10-9(11(8)14)5-6-12(10)2/h5-6,8H,3-4H2,1-2H3
InChIKeyRUANHZRKJZGKSY-UHFFFAOYSA-N
XLogP1.36
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-methyl-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 5-acetyl-1-methyl-6,7-dihydro-5H-indol-4-one (CID 5274448) is 5-acetyl-1-methyl-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 5-acetyl-1-methyl-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 5-acetyl-1-methyl-6,7-dihydro-5H-indol-4-one is CC(=O)C1CCc2c(ccn2C)C1=O.
What is the InChIKey of 5-acetyl-1-methyl-6,7-dihydro-5H-indol-4-one?
The InChIKey is RUANHZRKJZGKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7(13)8-3-4-10-9(11(8)14)5-6-12(10)2/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 5-acetyl-1-methyl-6,7-dihydro-5H-indol-4-one?
5-acetyl-1-methyl-6,7-dihydro-5H-indol-4-one has a molecular weight of 191.23 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-methyl-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 5274448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).