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

C10H13NO2 — CID 102126799

IUPAC6-(hydroxymethyl)-6,7,8,9-tetrahydroquinolizin-4-one
SMILESO=c1cccc2n1C(CO)CCC2
InChIInChI=1S/C10H13NO2/c12-7-9-5-1-3-8-4-2-6-10(13)11(8)9/h2,4,6,9,12H,1,3,5,7H2
InChIKeyUDYZXXVMKUAHGM-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.72
Rot. Bonds1

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

6-(hydroxymethyl)-6,7,8,9-tetrahydroquinolizin-4-one (PubChem CID 102126799) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 6-(hydroxymethyl)-6,7,8,9-tetrahydroquinolizin-4-one.

Molecular Properties

Compound Name6-(hydroxymethyl)-6,7,8,9-tetrahydroquinolizin-4-one
PubChem CID102126799
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name6-(hydroxymethyl)-6,7,8,9-tetrahydroquinolizin-4-one
SMILESO=c1cccc2n1C(CO)CCC2
InChIInChI=1S/C10H13NO2/c12-7-9-5-1-3-8-4-2-6-10(13)11(8)9/h2,4,6,9,12H,1,3,5,7H2
InChIKeyUDYZXXVMKUAHGM-UHFFFAOYSA-N
XLogP0.72
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-Hydroxy-6-(hydroxymethyl)-3-methyl-6,7,8,9-tetrahydro-4H-quinolizin-4-one
CID 156745761
(5S,8aR)-5-(hydroxymethyl)-6,7,8,8a-tetrahydro-5H-indolizin-3-one
CID 23655662
6-(hydroxymethyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one
CID 102126800
5-[2-(Hydroxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 110901892
6-Oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid
CID 115019326
(6R)-6-(hydroxymethyl)-6,7,8,9-tetrahydroquinolizin-4-one
CID 125492339
(6S)-6-(hydroxymethyl)-6,7,8,9-tetrahydroquinolizin-4-one
CID 125492340
6-(Hydroxymethyl)-3,6,7,8,9,9a-hexahydroquinolizin-4-one
CID 130149397

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-6,7,8,9-tetrahydroquinolizin-4-one?
The IUPAC name of 6-(hydroxymethyl)-6,7,8,9-tetrahydroquinolizin-4-one (CID 102126799) is 6-(hydroxymethyl)-6,7,8,9-tetrahydroquinolizin-4-one.
What is the SMILES notation for 6-(hydroxymethyl)-6,7,8,9-tetrahydroquinolizin-4-one?
The canonical SMILES for 6-(hydroxymethyl)-6,7,8,9-tetrahydroquinolizin-4-one is O=c1cccc2n1C(CO)CCC2.
What is the InChIKey of 6-(hydroxymethyl)-6,7,8,9-tetrahydroquinolizin-4-one?
The InChIKey is UDYZXXVMKUAHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c12-7-9-5-1-3-8-4-2-6-10(13)11(8)9/h2,4,6,9,12H,1,3,5,7H2.
What are the key properties of 6-(hydroxymethyl)-6,7,8,9-tetrahydroquinolizin-4-one?
6-(hydroxymethyl)-6,7,8,9-tetrahydroquinolizin-4-one has a molecular weight of 179.22 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-6,7,8,9-tetrahydroquinolizin-4-one is sourced from PubChem (CID 102126799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).