1,1-dimethyl-11bH-benzo[a]quinolizin-2-one

C15H15NO — CID 132541281

IUPAC1,1-dimethyl-11bH-benzo[a]quinolizin-2-one
SMILESCC1(C)C(=O)C=CN2C=Cc3ccccc3C21
InChIInChI=1S/C15H15NO/c1-15(2)13(17)8-10-16-9-7-11-5-3-4-6-12(11)14(15)16/h3-10,14H,1-2H3
InChIKeyOXKHWBJCGOPUEL-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.14
Rot. Bonds

About 1,1-dimethyl-11bH-benzo[a]quinolizin-2-one

1,1-dimethyl-11bH-benzo[a]quinolizin-2-one (PubChem CID 132541281) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 1,1-dimethyl-11bH-benzo[a]quinolizin-2-one.

Molecular Properties

Compound Name1,1-dimethyl-11bH-benzo[a]quinolizin-2-one
PubChem CID132541281
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name1,1-dimethyl-11bH-benzo[a]quinolizin-2-one
SMILESCC1(C)C(=O)C=CN2C=Cc3ccccc3C21
InChIInChI=1S/C15H15NO/c1-15(2)13(17)8-10-16-9-7-11-5-3-4-6-12(11)14(15)16/h3-10,14H,1-2H3
InChIKeyOXKHWBJCGOPUEL-UHFFFAOYSA-N
XLogP3.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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magnesium;1-(2,2-dimethylcyclopropyl)-1H-naphthalen-2-one;chloride
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CID 1035861
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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-11bH-benzo[a]quinolizin-2-one?
The IUPAC name of 1,1-dimethyl-11bH-benzo[a]quinolizin-2-one (CID 132541281) is 1,1-dimethyl-11bH-benzo[a]quinolizin-2-one.
What is the SMILES notation for 1,1-dimethyl-11bH-benzo[a]quinolizin-2-one?
The canonical SMILES for 1,1-dimethyl-11bH-benzo[a]quinolizin-2-one is CC1(C)C(=O)C=CN2C=Cc3ccccc3C21.
What is the InChIKey of 1,1-dimethyl-11bH-benzo[a]quinolizin-2-one?
The InChIKey is OXKHWBJCGOPUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-15(2)13(17)8-10-16-9-7-11-5-3-4-6-12(11)14(15)16/h3-10,14H,1-2H3.
What are the key properties of 1,1-dimethyl-11bH-benzo[a]quinolizin-2-one?
1,1-dimethyl-11bH-benzo[a]quinolizin-2-one has a molecular weight of 225.29 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-11bH-benzo[a]quinolizin-2-one is sourced from PubChem (CID 132541281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).