1,6,6-trimethyl-4-oxo-5,7-dihydroindole-2-carbaldehyde

C12H15NO2 — CID 82396268

IUPAC1,6,6-trimethyl-4-oxo-5,7-dihydroindole-2-carbaldehyde
SMILESCn1c(C=O)cc2c1CC(C)(C)CC2=O
InChIInChI=1S/C12H15NO2/c1-12(2)5-10-9(11(15)6-12)4-8(7-14)13(10)3/h4,7H,5-6H2,1-3H3
InChIKeySUCIYOJJSRDYSL-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.99
Rot. Bonds1

About 1,6,6-trimethyl-4-oxo-5,7-dihydroindole-2-carbaldehyde

1,6,6-trimethyl-4-oxo-5,7-dihydroindole-2-carbaldehyde (PubChem CID 82396268) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1,6,6-trimethyl-4-oxo-5,7-dihydroindole-2-carbaldehyde.

Molecular Properties

Compound Name1,6,6-trimethyl-4-oxo-5,7-dihydroindole-2-carbaldehyde
PubChem CID82396268
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1,6,6-trimethyl-4-oxo-5,7-dihydroindole-2-carbaldehyde
SMILESCn1c(C=O)cc2c1CC(C)(C)CC2=O
InChIInChI=1S/C12H15NO2/c1-12(2)5-10-9(11(15)6-12)4-8(7-14)13(10)3/h4,7H,5-6H2,1-3H3
InChIKeySUCIYOJJSRDYSL-UHFFFAOYSA-N
XLogP1.99
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,6,6-trimethyl-4-oxo-5,7-dihydroindole-2-carbaldehyde?
The IUPAC name of 1,6,6-trimethyl-4-oxo-5,7-dihydroindole-2-carbaldehyde (CID 82396268) is 1,6,6-trimethyl-4-oxo-5,7-dihydroindole-2-carbaldehyde.
What is the SMILES notation for 1,6,6-trimethyl-4-oxo-5,7-dihydroindole-2-carbaldehyde?
The canonical SMILES for 1,6,6-trimethyl-4-oxo-5,7-dihydroindole-2-carbaldehyde is Cn1c(C=O)cc2c1CC(C)(C)CC2=O.
What is the InChIKey of 1,6,6-trimethyl-4-oxo-5,7-dihydroindole-2-carbaldehyde?
The InChIKey is SUCIYOJJSRDYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-12(2)5-10-9(11(15)6-12)4-8(7-14)13(10)3/h4,7H,5-6H2,1-3H3.
What are the key properties of 1,6,6-trimethyl-4-oxo-5,7-dihydroindole-2-carbaldehyde?
1,6,6-trimethyl-4-oxo-5,7-dihydroindole-2-carbaldehyde has a molecular weight of 205.26 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,6-trimethyl-4-oxo-5,7-dihydroindole-2-carbaldehyde is sourced from PubChem (CID 82396268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).