7,8-dihydroxy-2-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one

C10H17NO3 — CID 130152346

IUPAC7,8-dihydroxy-2-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
SMILESCC1CC(=O)N2CC(O)C(O)CC2C1
InChIInChI=1S/C10H17NO3/c1-6-2-7-4-8(12)9(13)5-11(7)10(14)3-6/h6-9,12-13H,2-5H2,1H3
InChIKeyFQXJZPOGBBONEG-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.26
Rot. Bonds

About 7,8-dihydroxy-2-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one

7,8-dihydroxy-2-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one (PubChem CID 130152346) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 7,8-dihydroxy-2-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one.

Molecular Properties

Compound Name7,8-dihydroxy-2-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
PubChem CID130152346
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name7,8-dihydroxy-2-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
SMILESCC1CC(=O)N2CC(O)C(O)CC2C1
InChIInChI=1S/C10H17NO3/c1-6-2-7-4-8(12)9(13)5-11(7)10(14)3-6/h6-9,12-13H,2-5H2,1H3
InChIKeyFQXJZPOGBBONEG-UHFFFAOYSA-N
XLogP-0.26
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2,7,9,10-tetramethyl-2,3,6,7,8,10a-hexahydro-1H-pyrido[1,2-a]azepin-4-one
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CID 107849710
CID 91609229
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CID 175799748
1-cyclopentyl-4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 79403206
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CID 119209014
1-cyclohexyl-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
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1-ethyl-4-methyl-6-oxopiperidine-2-carboxylic acid
CID 130815234

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydroxy-2-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
The IUPAC name of 7,8-dihydroxy-2-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one (CID 130152346) is 7,8-dihydroxy-2-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one.
What is the SMILES notation for 7,8-dihydroxy-2-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
The canonical SMILES for 7,8-dihydroxy-2-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one is CC1CC(=O)N2CC(O)C(O)CC2C1.
What is the InChIKey of 7,8-dihydroxy-2-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
The InChIKey is FQXJZPOGBBONEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-6-2-7-4-8(12)9(13)5-11(7)10(14)3-6/h6-9,12-13H,2-5H2,1H3.
What are the key properties of 7,8-dihydroxy-2-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
7,8-dihydroxy-2-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one has a molecular weight of 199.25 g/mol, XLogP of -0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydroxy-2-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one is sourced from PubChem (CID 130152346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).