7-hydroxy-6-(hydroxymethyl)-3-methyl-6,7,8,9-tetrahydroquinolizin-4-one

C11H15NO3 — CID 156745761

IUPAC7-hydroxy-6-(hydroxymethyl)-3-methyl-6,7,8,9-tetrahydroquinolizin-4-one
SMILESCc1ccc2n(c1=O)C(CO)C(O)CC2
InChIInChI=1S/C11H15NO3/c1-7-2-3-8-4-5-10(14)9(6-13)12(8)11(7)15/h2-3,9-10,13-14H,4-6H2,1H3
InChIKeyBSBMUXUOCNGBMW-UHFFFAOYSA-N
MW209.24 g/mol
LogP-0.00
Rot. Bonds1

About 7-hydroxy-6-(hydroxymethyl)-3-methyl-6,7,8,9-tetrahydroquinolizin-4-one

7-hydroxy-6-(hydroxymethyl)-3-methyl-6,7,8,9-tetrahydroquinolizin-4-one (PubChem CID 156745761) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 7-hydroxy-6-(hydroxymethyl)-3-methyl-6,7,8,9-tetrahydroquinolizin-4-one.

Molecular Properties

Compound Name7-hydroxy-6-(hydroxymethyl)-3-methyl-6,7,8,9-tetrahydroquinolizin-4-one
PubChem CID156745761
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name7-hydroxy-6-(hydroxymethyl)-3-methyl-6,7,8,9-tetrahydroquinolizin-4-one
SMILESCc1ccc2n(c1=O)C(CO)C(O)CC2
InChIInChI=1S/C11H15NO3/c1-7-2-3-8-4-5-10(14)9(6-13)12(8)11(7)15/h2-3,9-10,13-14H,4-6H2,1H3
InChIKeyBSBMUXUOCNGBMW-UHFFFAOYSA-N
XLogP-0.00
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-(hydroxymethyl)-3-methyl-6,7,8,9-tetrahydroquinolizin-4-one?
The IUPAC name of 7-hydroxy-6-(hydroxymethyl)-3-methyl-6,7,8,9-tetrahydroquinolizin-4-one (CID 156745761) is 7-hydroxy-6-(hydroxymethyl)-3-methyl-6,7,8,9-tetrahydroquinolizin-4-one.
What is the SMILES notation for 7-hydroxy-6-(hydroxymethyl)-3-methyl-6,7,8,9-tetrahydroquinolizin-4-one?
The canonical SMILES for 7-hydroxy-6-(hydroxymethyl)-3-methyl-6,7,8,9-tetrahydroquinolizin-4-one is Cc1ccc2n(c1=O)C(CO)C(O)CC2.
What is the InChIKey of 7-hydroxy-6-(hydroxymethyl)-3-methyl-6,7,8,9-tetrahydroquinolizin-4-one?
The InChIKey is BSBMUXUOCNGBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7-2-3-8-4-5-10(14)9(6-13)12(8)11(7)15/h2-3,9-10,13-14H,4-6H2,1H3.
What are the key properties of 7-hydroxy-6-(hydroxymethyl)-3-methyl-6,7,8,9-tetrahydroquinolizin-4-one?
7-hydroxy-6-(hydroxymethyl)-3-methyl-6,7,8,9-tetrahydroquinolizin-4-one has a molecular weight of 209.24 g/mol, XLogP of -0.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-(hydroxymethyl)-3-methyl-6,7,8,9-tetrahydroquinolizin-4-one is sourced from PubChem (CID 156745761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).