8-methyl-7-methylidene-2,3,6,9a-tetrahydro-1H-quinolizin-4-one

C11H15NO — CID 11194649

IUPAC8-methyl-7-methylidene-2,3,6,9a-tetrahydro-1H-quinolizin-4-one
SMILESC=C1CN2C(=O)CCCC2C=C1C
InChIInChI=1S/C11H15NO/c1-8-6-10-4-3-5-11(13)12(10)7-9(8)2/h6,10H,2-5,7H2,1H3
InChIKeyCSMSEZVYCYPDIZ-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.88
Rot. Bonds

About 8-methyl-7-methylidene-2,3,6,9a-tetrahydro-1H-quinolizin-4-one

8-methyl-7-methylidene-2,3,6,9a-tetrahydro-1H-quinolizin-4-one (PubChem CID 11194649) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 8-methyl-7-methylidene-2,3,6,9a-tetrahydro-1H-quinolizin-4-one.

Molecular Properties

Compound Name8-methyl-7-methylidene-2,3,6,9a-tetrahydro-1H-quinolizin-4-one
PubChem CID11194649
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name8-methyl-7-methylidene-2,3,6,9a-tetrahydro-1H-quinolizin-4-one
SMILESC=C1CN2C(=O)CCCC2C=C1C
InChIInChI=1S/C11H15NO/c1-8-6-10-4-3-5-11(13)12(10)7-9(8)2/h6,10H,2-5,7H2,1H3
InChIKeyCSMSEZVYCYPDIZ-UHFFFAOYSA-N
XLogP1.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-methylidene-2,3,6,9a-tetrahydro-1H-quinolizin-4-one?
The IUPAC name of 8-methyl-7-methylidene-2,3,6,9a-tetrahydro-1H-quinolizin-4-one (CID 11194649) is 8-methyl-7-methylidene-2,3,6,9a-tetrahydro-1H-quinolizin-4-one.
What is the SMILES notation for 8-methyl-7-methylidene-2,3,6,9a-tetrahydro-1H-quinolizin-4-one?
The canonical SMILES for 8-methyl-7-methylidene-2,3,6,9a-tetrahydro-1H-quinolizin-4-one is C=C1CN2C(=O)CCCC2C=C1C.
What is the InChIKey of 8-methyl-7-methylidene-2,3,6,9a-tetrahydro-1H-quinolizin-4-one?
The InChIKey is CSMSEZVYCYPDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-6-10-4-3-5-11(13)12(10)7-9(8)2/h6,10H,2-5,7H2,1H3.
What are the key properties of 8-methyl-7-methylidene-2,3,6,9a-tetrahydro-1H-quinolizin-4-one?
8-methyl-7-methylidene-2,3,6,9a-tetrahydro-1H-quinolizin-4-one has a molecular weight of 177.25 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-methylidene-2,3,6,9a-tetrahydro-1H-quinolizin-4-one is sourced from PubChem (CID 11194649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).