6-methoxy-1,3-dimethyl-3,8-dihydro-2H-azonin-9-one

C11H17NO2 — CID 91512361

IUPAC6-methoxy-1,3-dimethyl-3,8-dihydro-2H-azonin-9-one
SMILESCOC1=CCC(=O)N(C)CC(C)C=C1
InChIInChI=1S/C11H17NO2/c1-9-4-5-10(14-3)6-7-11(13)12(2)8-9/h4-6,9H,7-8H2,1-3H3
InChIKeyYZKNLIURWPHIHD-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.57
Rot. Bonds1

About 6-methoxy-1,3-dimethyl-3,8-dihydro-2H-azonin-9-one

6-methoxy-1,3-dimethyl-3,8-dihydro-2H-azonin-9-one (PubChem CID 91512361) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 6-methoxy-1,3-dimethyl-3,8-dihydro-2H-azonin-9-one.

Molecular Properties

Compound Name6-methoxy-1,3-dimethyl-3,8-dihydro-2H-azonin-9-one
PubChem CID91512361
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name6-methoxy-1,3-dimethyl-3,8-dihydro-2H-azonin-9-one
SMILESCOC1=CCC(=O)N(C)CC(C)C=C1
InChIInChI=1S/C11H17NO2/c1-9-4-5-10(14-3)6-7-11(13)12(2)8-9/h4-6,9H,7-8H2,1-3H3
InChIKeyYZKNLIURWPHIHD-UHFFFAOYSA-N
XLogP1.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-[(1E)-2-methoxy-3-methylbuta-1,3-dienyl]-1,3-dimethyl-2H-pyrrol-5-one;prop-1-ene
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N-[(4Z)-6-methoxy-2-methyl-3-methylidenehepta-4,6-dienyl]-N-methylacetamide
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1-[(1R)-7-methoxy-3-azabicyclo[4.4.1]undeca-6(11),7,9-trien-3-yl]-2-methylpropan-1-one
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Lithium 2-(diethylcarbamoyl)-6-methoxybenzen-1-ide
CID 12460623
(4E)-5-methoxy-7-methyl-3-methylidene-N,N-dipropylocta-4,6-dienamide
CID 142986622
(3E,5Z,7E)-N-methyl-8-(7-methylcyclohepta-1,4,6-trien-1-yl)oxy-N-propylnona-3,5,7-trienamide
CID 143595389
1-[(3Z,5E)-5-methoxy-2-methylhepta-3,5-dienyl]pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,3-dimethyl-3,8-dihydro-2H-azonin-9-one?
The IUPAC name of 6-methoxy-1,3-dimethyl-3,8-dihydro-2H-azonin-9-one (CID 91512361) is 6-methoxy-1,3-dimethyl-3,8-dihydro-2H-azonin-9-one.
What is the SMILES notation for 6-methoxy-1,3-dimethyl-3,8-dihydro-2H-azonin-9-one?
The canonical SMILES for 6-methoxy-1,3-dimethyl-3,8-dihydro-2H-azonin-9-one is COC1=CCC(=O)N(C)CC(C)C=C1.
What is the InChIKey of 6-methoxy-1,3-dimethyl-3,8-dihydro-2H-azonin-9-one?
The InChIKey is YZKNLIURWPHIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-9-4-5-10(14-3)6-7-11(13)12(2)8-9/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 6-methoxy-1,3-dimethyl-3,8-dihydro-2H-azonin-9-one?
6-methoxy-1,3-dimethyl-3,8-dihydro-2H-azonin-9-one has a molecular weight of 195.26 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,3-dimethyl-3,8-dihydro-2H-azonin-9-one is sourced from PubChem (CID 91512361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).