9-methyl-6,7,8,9-tetrahydroquinolizin-4-one

C10H13NO — CID 102163877

IUPAC9-methyl-6,7,8,9-tetrahydroquinolizin-4-one
SMILESCC1CCCn2c1cccc2=O
InChIInChI=1S/C10H13NO/c1-8-4-3-7-11-9(8)5-2-6-10(11)12/h2,5-6,8H,3-4,7H2,1H3
InChIKeyFAXNXDAJGRPVSL-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.75
Rot. Bonds

About 9-methyl-6,7,8,9-tetrahydroquinolizin-4-one

9-methyl-6,7,8,9-tetrahydroquinolizin-4-one (PubChem CID 102163877) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 9-methyl-6,7,8,9-tetrahydroquinolizin-4-one.

Molecular Properties

Compound Name9-methyl-6,7,8,9-tetrahydroquinolizin-4-one
PubChem CID102163877
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name9-methyl-6,7,8,9-tetrahydroquinolizin-4-one
SMILESCC1CCCn2c1cccc2=O
InChIInChI=1S/C10H13NO/c1-8-4-3-7-11-9(8)5-2-6-10(11)12/h2,5-6,8H,3-4,7H2,1H3
InChIKeyFAXNXDAJGRPVSL-UHFFFAOYSA-N
XLogP1.75
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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SureCN14206891
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Frequently Asked Questions

What is the IUPAC name of 9-methyl-6,7,8,9-tetrahydroquinolizin-4-one?
The IUPAC name of 9-methyl-6,7,8,9-tetrahydroquinolizin-4-one (CID 102163877) is 9-methyl-6,7,8,9-tetrahydroquinolizin-4-one.
What is the SMILES notation for 9-methyl-6,7,8,9-tetrahydroquinolizin-4-one?
The canonical SMILES for 9-methyl-6,7,8,9-tetrahydroquinolizin-4-one is CC1CCCn2c1cccc2=O.
What is the InChIKey of 9-methyl-6,7,8,9-tetrahydroquinolizin-4-one?
The InChIKey is FAXNXDAJGRPVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-8-4-3-7-11-9(8)5-2-6-10(11)12/h2,5-6,8H,3-4,7H2,1H3.
What are the key properties of 9-methyl-6,7,8,9-tetrahydroquinolizin-4-one?
9-methyl-6,7,8,9-tetrahydroquinolizin-4-one has a molecular weight of 163.22 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6,7,8,9-tetrahydroquinolizin-4-one is sourced from PubChem (CID 102163877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).