(9aR)-7-phenyl-3,6,9,9a-tetrahydroquinolizin-4-one

C15H15NO — CID 122205849

IUPAC(9aR)-7-phenyl-3,6,9,9a-tetrahydroquinolizin-4-one
SMILESO=C1CC=C[C@H]2CC=C(c3ccccc3)CN12
InChIInChI=1S/C15H15NO/c17-15-8-4-7-14-10-9-13(11-16(14)15)12-5-2-1-3-6-12/h1-7,9,14H,8,10-11H2/t14-/m0/s1
InChIKeyPHBPJYJGMYBIRD-AWEZNQCLSA-N
MW225.29 g/mol
LogP2.63
Rot. Bonds1

About (9aR)-7-phenyl-3,6,9,9a-tetrahydroquinolizin-4-one

(9aR)-7-phenyl-3,6,9,9a-tetrahydroquinolizin-4-one (PubChem CID 122205849) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is (9aR)-7-phenyl-3,6,9,9a-tetrahydroquinolizin-4-one.

Molecular Properties

Compound Name(9aR)-7-phenyl-3,6,9,9a-tetrahydroquinolizin-4-one
PubChem CID122205849
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name(9aR)-7-phenyl-3,6,9,9a-tetrahydroquinolizin-4-one
SMILESO=C1CC=C[C@H]2CC=C(c3ccccc3)CN12
InChIInChI=1S/C15H15NO/c17-15-8-4-7-14-10-9-13(11-16(14)15)12-5-2-1-3-6-12/h1-7,9,14H,8,10-11H2/t14-/m0/s1
InChIKeyPHBPJYJGMYBIRD-AWEZNQCLSA-N
XLogP2.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(9aR)-3,6,9,9a-tetrahydroquinolizin-4-one
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2-amino-1-phenyl-4H-pyridazin-3-one
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CID 143708381
2-phenyl-7,8-dihydro-5H-imidazo[1,2-a]pyridin-6-one
CID 83885763
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CID 75162882

Frequently Asked Questions

What is the IUPAC name of (9aR)-7-phenyl-3,6,9,9a-tetrahydroquinolizin-4-one?
The IUPAC name of (9aR)-7-phenyl-3,6,9,9a-tetrahydroquinolizin-4-one (CID 122205849) is (9aR)-7-phenyl-3,6,9,9a-tetrahydroquinolizin-4-one.
What is the SMILES notation for (9aR)-7-phenyl-3,6,9,9a-tetrahydroquinolizin-4-one?
The canonical SMILES for (9aR)-7-phenyl-3,6,9,9a-tetrahydroquinolizin-4-one is O=C1CC=C[C@H]2CC=C(c3ccccc3)CN12.
What is the InChIKey of (9aR)-7-phenyl-3,6,9,9a-tetrahydroquinolizin-4-one?
The InChIKey is PHBPJYJGMYBIRD-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15NO/c17-15-8-4-7-14-10-9-13(11-16(14)15)12-5-2-1-3-6-12/h1-7,9,14H,8,10-11H2/t14-/m0/s1.
What are the key properties of (9aR)-7-phenyl-3,6,9,9a-tetrahydroquinolizin-4-one?
(9aR)-7-phenyl-3,6,9,9a-tetrahydroquinolizin-4-one has a molecular weight of 225.29 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-7-phenyl-3,6,9,9a-tetrahydroquinolizin-4-one is sourced from PubChem (CID 122205849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).