2,3,4,9a-tetrahydroquinolizin-1-one

C9H11NO — CID 22988046

IUPAC2,3,4,9a-tetrahydroquinolizin-1-one
SMILESO=C1CCCN2C=CC=CC12
InChIInChI=1S/C9H11NO/c11-9-5-3-7-10-6-2-1-4-8(9)10/h1-2,4,6,8H,3,5,7H2
InChIKeyFIWCUFRCSNYOEQ-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.10
Rot. Bonds

About 2,3,4,9a-tetrahydroquinolizin-1-one

2,3,4,9a-tetrahydroquinolizin-1-one (PubChem CID 22988046) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2,3,4,9a-tetrahydroquinolizin-1-one.

Molecular Properties

Compound Name2,3,4,9a-tetrahydroquinolizin-1-one
PubChem CID22988046
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2,3,4,9a-tetrahydroquinolizin-1-one
SMILESO=C1CCCN2C=CC=CC12
InChIInChI=1S/C9H11NO/c11-9-5-3-7-10-6-2-1-4-8(9)10/h1-2,4,6,8H,3,5,7H2
InChIKeyFIWCUFRCSNYOEQ-UHFFFAOYSA-N
XLogP1.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
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 ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,9a-tetrahydroquinolizin-1-one?
The IUPAC name of 2,3,4,9a-tetrahydroquinolizin-1-one (CID 22988046) is 2,3,4,9a-tetrahydroquinolizin-1-one.
What is the SMILES notation for 2,3,4,9a-tetrahydroquinolizin-1-one?
The canonical SMILES for 2,3,4,9a-tetrahydroquinolizin-1-one is O=C1CCCN2C=CC=CC12.
What is the InChIKey of 2,3,4,9a-tetrahydroquinolizin-1-one?
The InChIKey is FIWCUFRCSNYOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c11-9-5-3-7-10-6-2-1-4-8(9)10/h1-2,4,6,8H,3,5,7H2.
What are the key properties of 2,3,4,9a-tetrahydroquinolizin-1-one?
2,3,4,9a-tetrahydroquinolizin-1-one has a molecular weight of 149.19 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,9a-tetrahydroquinolizin-1-one is sourced from PubChem (CID 22988046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).