2,3,6,7-tetrahydroquinolizin-4-one

C9H11NO — CID 135082927

IUPAC2,3,6,7-tetrahydroquinolizin-4-one
SMILESO=C1CCC=C2C=CCCN12
InChIInChI=1S/C9H11NO/c11-9-6-3-5-8-4-1-2-7-10(8)9/h1,4-5H,2-3,6-7H2
InChIKeyVRIRJQNMVNKHQQ-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.45
Rot. Bonds

About 2,3,6,7-tetrahydroquinolizin-4-one

2,3,6,7-tetrahydroquinolizin-4-one (PubChem CID 135082927) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2,3,6,7-tetrahydroquinolizin-4-one.

Molecular Properties

Compound Name2,3,6,7-tetrahydroquinolizin-4-one
PubChem CID135082927
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2,3,6,7-tetrahydroquinolizin-4-one
SMILESO=C1CCC=C2C=CCCN12
InChIInChI=1S/C9H11NO/c11-9-6-3-5-8-4-1-2-7-10(8)9/h1,4-5H,2-3,6-7H2
InChIKeyVRIRJQNMVNKHQQ-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetrahydroquinolizin-4-one?
The IUPAC name of 2,3,6,7-tetrahydroquinolizin-4-one (CID 135082927) is 2,3,6,7-tetrahydroquinolizin-4-one.
What is the SMILES notation for 2,3,6,7-tetrahydroquinolizin-4-one?
The canonical SMILES for 2,3,6,7-tetrahydroquinolizin-4-one is O=C1CCC=C2C=CCCN12.
What is the InChIKey of 2,3,6,7-tetrahydroquinolizin-4-one?
The InChIKey is VRIRJQNMVNKHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c11-9-6-3-5-8-4-1-2-7-10(8)9/h1,4-5H,2-3,6-7H2.
What are the key properties of 2,3,6,7-tetrahydroquinolizin-4-one?
2,3,6,7-tetrahydroquinolizin-4-one has a molecular weight of 149.19 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetrahydroquinolizin-4-one is sourced from PubChem (CID 135082927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).