9-methyl-2,3,6,7-tetrahydroquinolizin-4-one

C10H13NO — CID 45088796

IUPAC9-methyl-2,3,6,7-tetrahydroquinolizin-4-one
SMILESCC1=CCCN2C(=O)CCC=C12
InChIInChI=1S/C10H13NO/c1-8-4-3-7-11-9(8)5-2-6-10(11)12/h4-5H,2-3,6-7H2,1H3
InChIKeyBLNXZFIYCFOHQR-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.84
Rot. Bonds

About 9-methyl-2,3,6,7-tetrahydroquinolizin-4-one

9-methyl-2,3,6,7-tetrahydroquinolizin-4-one (PubChem CID 45088796) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 9-methyl-2,3,6,7-tetrahydroquinolizin-4-one.

Molecular Properties

Compound Name9-methyl-2,3,6,7-tetrahydroquinolizin-4-one
PubChem CID45088796
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name9-methyl-2,3,6,7-tetrahydroquinolizin-4-one
SMILESCC1=CCCN2C(=O)CCC=C12
InChIInChI=1S/C10H13NO/c1-8-4-3-7-11-9(8)5-2-6-10(11)12/h4-5H,2-3,6-7H2,1H3
InChIKeyBLNXZFIYCFOHQR-UHFFFAOYSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2,3,6,7-tetrahydroquinolizin-4-one?
The IUPAC name of 9-methyl-2,3,6,7-tetrahydroquinolizin-4-one (CID 45088796) is 9-methyl-2,3,6,7-tetrahydroquinolizin-4-one.
What is the SMILES notation for 9-methyl-2,3,6,7-tetrahydroquinolizin-4-one?
The canonical SMILES for 9-methyl-2,3,6,7-tetrahydroquinolizin-4-one is CC1=CCCN2C(=O)CCC=C12.
What is the InChIKey of 9-methyl-2,3,6,7-tetrahydroquinolizin-4-one?
The InChIKey is BLNXZFIYCFOHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-8-4-3-7-11-9(8)5-2-6-10(11)12/h4-5H,2-3,6-7H2,1H3.
What are the key properties of 9-methyl-2,3,6,7-tetrahydroquinolizin-4-one?
9-methyl-2,3,6,7-tetrahydroquinolizin-4-one has a molecular weight of 163.22 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2,3,6,7-tetrahydroquinolizin-4-one is sourced from PubChem (CID 45088796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).