4-methoxy-1,1-dimethyl-8,8a-dihydroazeto[1,2-a]indol-2-one

C13H15NO2 — CID 10822646

IUPAC4-methoxy-1,1-dimethyl-8,8a-dihydroazeto[1,2-a]indol-2-one
SMILESCOc1cccc2c1N1C(=O)C(C)(C)C1C2
InChIInChI=1S/C13H15NO2/c1-13(2)10-7-8-5-4-6-9(16-3)11(8)14(10)12(13)15/h4-6,10H,7H2,1-3H3
InChIKeyLCNFUWCCFUTAFZ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.99
Rot. Bonds1

About 4-methoxy-1,1-dimethyl-8,8a-dihydroazeto[1,2-a]indol-2-one

4-methoxy-1,1-dimethyl-8,8a-dihydroazeto[1,2-a]indol-2-one (PubChem CID 10822646) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-methoxy-1,1-dimethyl-8,8a-dihydroazeto[1,2-a]indol-2-one.

Molecular Properties

Compound Name4-methoxy-1,1-dimethyl-8,8a-dihydroazeto[1,2-a]indol-2-one
PubChem CID10822646
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name4-methoxy-1,1-dimethyl-8,8a-dihydroazeto[1,2-a]indol-2-one
SMILESCOc1cccc2c1N1C(=O)C(C)(C)C1C2
InChIInChI=1S/C13H15NO2/c1-13(2)10-7-8-5-4-6-9(16-3)11(8)14(10)12(13)15/h4-6,10H,7H2,1-3H3
InChIKeyLCNFUWCCFUTAFZ-UHFFFAOYSA-N
XLogP1.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,1-dimethyl-8,8a-dihydroazeto[1,2-a]indol-2-one?
The IUPAC name of 4-methoxy-1,1-dimethyl-8,8a-dihydroazeto[1,2-a]indol-2-one (CID 10822646) is 4-methoxy-1,1-dimethyl-8,8a-dihydroazeto[1,2-a]indol-2-one.
What is the SMILES notation for 4-methoxy-1,1-dimethyl-8,8a-dihydroazeto[1,2-a]indol-2-one?
The canonical SMILES for 4-methoxy-1,1-dimethyl-8,8a-dihydroazeto[1,2-a]indol-2-one is COc1cccc2c1N1C(=O)C(C)(C)C1C2.
What is the InChIKey of 4-methoxy-1,1-dimethyl-8,8a-dihydroazeto[1,2-a]indol-2-one?
The InChIKey is LCNFUWCCFUTAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-13(2)10-7-8-5-4-6-9(16-3)11(8)14(10)12(13)15/h4-6,10H,7H2,1-3H3.
What are the key properties of 4-methoxy-1,1-dimethyl-8,8a-dihydroazeto[1,2-a]indol-2-one?
4-methoxy-1,1-dimethyl-8,8a-dihydroazeto[1,2-a]indol-2-one has a molecular weight of 217.27 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,1-dimethyl-8,8a-dihydroazeto[1,2-a]indol-2-one is sourced from PubChem (CID 10822646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).