4,4a,5,6-tetrahydrobenzo[f]quinolizin-3-one

C13H13NO — CID 10442752

IUPAC4,4a,5,6-tetrahydrobenzo[f]quinolizin-3-one
SMILESO=C1C=CN2c3ccccc3CCC2C1
InChIInChI=1S/C13H13NO/c15-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-8,11H,5-6,9H2
InChIKeyLNTWPSKEEYNUKK-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.29
Rot. Bonds

About 4,4a,5,6-tetrahydrobenzo[f]quinolizin-3-one

4,4a,5,6-tetrahydrobenzo[f]quinolizin-3-one (PubChem CID 10442752) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 4,4a,5,6-tetrahydrobenzo[f]quinolizin-3-one.

Molecular Properties

Compound Name4,4a,5,6-tetrahydrobenzo[f]quinolizin-3-one
PubChem CID10442752
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name4,4a,5,6-tetrahydrobenzo[f]quinolizin-3-one
SMILESO=C1C=CN2c3ccccc3CCC2C1
InChIInChI=1S/C13H13NO/c15-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-8,11H,5-6,9H2
InChIKeyLNTWPSKEEYNUKK-UHFFFAOYSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4a,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The IUPAC name of 4,4a,5,6-tetrahydrobenzo[f]quinolizin-3-one (CID 10442752) is 4,4a,5,6-tetrahydrobenzo[f]quinolizin-3-one.
What is the SMILES notation for 4,4a,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The canonical SMILES for 4,4a,5,6-tetrahydrobenzo[f]quinolizin-3-one is O=C1C=CN2c3ccccc3CCC2C1.
What is the InChIKey of 4,4a,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The InChIKey is LNTWPSKEEYNUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c15-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-8,11H,5-6,9H2.
What are the key properties of 4,4a,5,6-tetrahydrobenzo[f]quinolizin-3-one?
4,4a,5,6-tetrahydrobenzo[f]quinolizin-3-one has a molecular weight of 199.25 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4a,5,6-tetrahydrobenzo[f]quinolizin-3-one is sourced from PubChem (CID 10442752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).