6-(hydroxymethyl)-3,6,7,8,9,9a-hexahydroquinolizin-4-one

C10H15NO2 — CID 130149397

IUPAC6-(hydroxymethyl)-3,6,7,8,9,9a-hexahydroquinolizin-4-one
SMILESO=C1CC=CC2CCCC(CO)N12
InChIInChI=1S/C10H15NO2/c12-7-9-5-1-3-8-4-2-6-10(13)11(8)9/h2,4,8-9,12H,1,3,5-7H2
InChIKeyDSSLCYHLFPFAJK-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.69
Rot. Bonds1

About 6-(hydroxymethyl)-3,6,7,8,9,9a-hexahydroquinolizin-4-one

6-(hydroxymethyl)-3,6,7,8,9,9a-hexahydroquinolizin-4-one (PubChem CID 130149397) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 6-(hydroxymethyl)-3,6,7,8,9,9a-hexahydroquinolizin-4-one.

Molecular Properties

Compound Name6-(hydroxymethyl)-3,6,7,8,9,9a-hexahydroquinolizin-4-one
PubChem CID130149397
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name6-(hydroxymethyl)-3,6,7,8,9,9a-hexahydroquinolizin-4-one
SMILESO=C1CC=CC2CCCC(CO)N12
InChIInChI=1S/C10H15NO2/c12-7-9-5-1-3-8-4-2-6-10(13)11(8)9/h2,4,8-9,12H,1,3,5-7H2
InChIKeyDSSLCYHLFPFAJK-UHFFFAOYSA-N
XLogP0.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,6S)-2-ethenyl-6-(hydroxymethyl)piperidin-1-yl]prop-2-en-1-one
CID 23655661
(5S,8aR)-5-(hydroxymethyl)-6,7,8,8a-tetrahydro-5H-indolizin-3-one
CID 23655662
1-[2-(Hydroxymethyl)piperidin-1-yl]but-3-en-1-one
CID 62678171
1-[2-(Hydroxymethyl)piperidin-1-yl]pent-4-en-1-one
CID 62678172
1-[(2R,6S)-2-ethenyl-6-(hydroxymethyl)piperidin-1-yl]but-3-en-1-one
CID 101432051
6-(Hydroxymethyl)-6,7,8,9-tetrahydroquinolizin-4-one
CID 102126799
(6R)-6-(hydroxymethyl)-6,7,8,9-tetrahydroquinolizin-4-one
CID 125492339
(6S)-6-(hydroxymethyl)-6,7,8,9-tetrahydroquinolizin-4-one
CID 125492340

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-3,6,7,8,9,9a-hexahydroquinolizin-4-one?
The IUPAC name of 6-(hydroxymethyl)-3,6,7,8,9,9a-hexahydroquinolizin-4-one (CID 130149397) is 6-(hydroxymethyl)-3,6,7,8,9,9a-hexahydroquinolizin-4-one.
What is the SMILES notation for 6-(hydroxymethyl)-3,6,7,8,9,9a-hexahydroquinolizin-4-one?
The canonical SMILES for 6-(hydroxymethyl)-3,6,7,8,9,9a-hexahydroquinolizin-4-one is O=C1CC=CC2CCCC(CO)N12.
What is the InChIKey of 6-(hydroxymethyl)-3,6,7,8,9,9a-hexahydroquinolizin-4-one?
The InChIKey is DSSLCYHLFPFAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c12-7-9-5-1-3-8-4-2-6-10(13)11(8)9/h2,4,8-9,12H,1,3,5-7H2.
What are the key properties of 6-(hydroxymethyl)-3,6,7,8,9,9a-hexahydroquinolizin-4-one?
6-(hydroxymethyl)-3,6,7,8,9,9a-hexahydroquinolizin-4-one has a molecular weight of 181.23 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-3,6,7,8,9,9a-hexahydroquinolizin-4-one is sourced from PubChem (CID 130149397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).