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

C9H11NO — CID 122205839

IUPAC(9aR)-3,6,9,9a-tetrahydroquinolizin-4-one
SMILESO=C1CC=C[C@H]2CC=CCN12
InChIInChI=1S/C9H11NO/c11-9-6-3-5-8-4-1-2-7-10(8)9/h1-3,5,8H,4,6-7H2/t8-/m1/s1
InChIKeyKDWVBPACDDKAQB-MRVPVSSYSA-N
MW149.19 g/mol
LogP1.10
Rot. Bonds

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

(9aR)-3,6,9,9a-tetrahydroquinolizin-4-one (PubChem CID 122205839) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is (9aR)-3,6,9,9a-tetrahydroquinolizin-4-one.

Molecular Properties

Compound Name(9aR)-3,6,9,9a-tetrahydroquinolizin-4-one
PubChem CID122205839
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name(9aR)-3,6,9,9a-tetrahydroquinolizin-4-one
SMILESO=C1CC=C[C@H]2CC=CCN12
InChIInChI=1S/C9H11NO/c11-9-6-3-5-8-4-1-2-7-10(8)9/h1-3,5,8H,4,6-7H2/t8-/m1/s1
InChIKeyKDWVBPACDDKAQB-MRVPVSSYSA-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 (9aR)-3,6,9,9a-tetrahydroquinolizin-4-one?
The IUPAC name of (9aR)-3,6,9,9a-tetrahydroquinolizin-4-one (CID 122205839) is (9aR)-3,6,9,9a-tetrahydroquinolizin-4-one.
What is the SMILES notation for (9aR)-3,6,9,9a-tetrahydroquinolizin-4-one?
The canonical SMILES for (9aR)-3,6,9,9a-tetrahydroquinolizin-4-one is O=C1CC=C[C@H]2CC=CCN12.
What is the InChIKey of (9aR)-3,6,9,9a-tetrahydroquinolizin-4-one?
The InChIKey is KDWVBPACDDKAQB-MRVPVSSYSA-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/t8-/m1/s1.
What are the key properties of (9aR)-3,6,9,9a-tetrahydroquinolizin-4-one?
(9aR)-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 (9aR)-3,6,9,9a-tetrahydroquinolizin-4-one is sourced from PubChem (CID 122205839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).