3,6,9,9a-tetrahydroquinolizin-4-one

C9H11NO — CID 101404536

IUPAC3,6,9,9a-tetrahydroquinolizin-4-one
SMILESO=C1CC=CC2CC=CCN12
InChIInChI=1S/C9H11NO/c11-9-6-3-5-8-4-1-2-7-10(8)9/h1-3,5,8H,4,6-7H2
InChIKeyKDWVBPACDDKAQB-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.10
Rot. Bonds

About 3,6,9,9a-tetrahydroquinolizin-4-one

3,6,9,9a-tetrahydroquinolizin-4-one (PubChem CID 101404536) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 3,6,9,9a-tetrahydroquinolizin-4-one.

Molecular Properties

Compound Name3,6,9,9a-tetrahydroquinolizin-4-one
PubChem CID101404536
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name3,6,9,9a-tetrahydroquinolizin-4-one
SMILESO=C1CC=CC2CC=CCN12
InChIInChI=1S/C9H11NO/c11-9-6-3-5-8-4-1-2-7-10(8)9/h1-3,5,8H,4,6-7H2
InChIKeyKDWVBPACDDKAQB-UHFFFAOYSA-N
XLogP1.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6,9,9a-tetrahydroquinolizin-4-one?
The IUPAC name of 3,6,9,9a-tetrahydroquinolizin-4-one (CID 101404536) is 3,6,9,9a-tetrahydroquinolizin-4-one.
What is the SMILES notation for 3,6,9,9a-tetrahydroquinolizin-4-one?
The canonical SMILES for 3,6,9,9a-tetrahydroquinolizin-4-one is O=C1CC=CC2CC=CCN12.
What is the InChIKey of 3,6,9,9a-tetrahydroquinolizin-4-one?
The InChIKey is KDWVBPACDDKAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c11-9-6-3-5-8-4-1-2-7-10(8)9/h1-3,5,8H,4,6-7H2.
What are the key properties of 3,6,9,9a-tetrahydroquinolizin-4-one?
3,6,9,9a-tetrahydroquinolizin-4-one has a molecular weight of 149.19 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,9,9a-tetrahydroquinolizin-4-one is sourced from PubChem (CID 101404536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).