6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione

C15H17NO3 — CID 2926974

IUPAC6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione
SMILESCOc1cc2c3c(c1)C(C)CC(C)(C)N3C(=O)C2=O
InChIInChI=1S/C15H17NO3/c1-8-7-15(2,3)16-12-10(8)5-9(19-4)6-11(12)13(17)14(16)18/h5-6,8H,7H2,1-4H3
InChIKeyHFNRQHVXNSKOKA-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.51
Rot. Bonds1

About 6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione

6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione (PubChem CID 2926974) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione.

Molecular Properties

Compound Name6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione
PubChem CID2926974
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione
SMILESCOc1cc2c3c(c1)C(C)CC(C)(C)N3C(=O)C2=O
InChIInChI=1S/C15H17NO3/c1-8-7-15(2,3)16-12-10(8)5-9(19-4)6-11(12)13(17)14(16)18/h5-6,8H,7H2,1-4H3
InChIKeyHFNRQHVXNSKOKA-UHFFFAOYSA-N
XLogP2.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 38333
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CID 1999089
8-Methoxy-4,4,6-trimethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
CID 1603092
5-methoxy-1-methyl-2,3-dihydro-1H-indole-2,3-dione
CID 3981211
8-ethoxy-4,4,6-trimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
CID 2967270
2-Fluorobenzoic acid 4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl ester
CID 1606484
Spiro(cyclopropane-1,2'(2H)-indol)-3'(1'H)-one, 1'-acetyl-5'-methoxy-
CID 3048860
4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3-methoxybenzoate
CID 1620644
5-Methoxy-1-(2-phenylethyl)indole-2,3-dione
CID 61355458
4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 2-methylbenzoate
CID 1988815
Tetrahydrofuran-2-carboxylic acid, 4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl ester
CID 3355111
5-methoxy-7-methyl-2,3-dihydro-1H-indole-2,3-dione
CID 12634804

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione?
The IUPAC name of 6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione (CID 2926974) is 6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione.
What is the SMILES notation for 6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione?
The canonical SMILES for 6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione is COc1cc2c3c(c1)C(C)CC(C)(C)N3C(=O)C2=O.
What is the InChIKey of 6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione?
The InChIKey is HFNRQHVXNSKOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-8-7-15(2,3)16-12-10(8)5-9(19-4)6-11(12)13(17)14(16)18/h5-6,8H,7H2,1-4H3.
What are the key properties of 6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione?
6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione has a molecular weight of 259.31 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione is sourced from PubChem (CID 2926974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).