1-methyl-3,4,6,7,8,9-hexahydroquinolizin-2-one

C10H15NO — CID 10607132

IUPAC1-methyl-3,4,6,7,8,9-hexahydroquinolizin-2-one
SMILESCC1=C2CCCCN2CCC1=O
InChIInChI=1S/C10H15NO/c1-8-9-4-2-3-6-11(9)7-5-10(8)12/h2-7H2,1H3
InChIKeyIJJZGETYKIKDMZ-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.72
Rot. Bonds

About 1-methyl-3,4,6,7,8,9-hexahydroquinolizin-2-one

1-methyl-3,4,6,7,8,9-hexahydroquinolizin-2-one (PubChem CID 10607132) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-methyl-3,4,6,7,8,9-hexahydroquinolizin-2-one.

Molecular Properties

Compound Name1-methyl-3,4,6,7,8,9-hexahydroquinolizin-2-one
PubChem CID10607132
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-methyl-3,4,6,7,8,9-hexahydroquinolizin-2-one
SMILESCC1=C2CCCCN2CCC1=O
InChIInChI=1S/C10H15NO/c1-8-9-4-2-3-6-11(9)7-5-10(8)12/h2-7H2,1H3
InChIKeyIJJZGETYKIKDMZ-UHFFFAOYSA-N
XLogP1.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4,6,7,8,9-hexahydroquinolizin-2-one?
The IUPAC name of 1-methyl-3,4,6,7,8,9-hexahydroquinolizin-2-one (CID 10607132) is 1-methyl-3,4,6,7,8,9-hexahydroquinolizin-2-one.
What is the SMILES notation for 1-methyl-3,4,6,7,8,9-hexahydroquinolizin-2-one?
The canonical SMILES for 1-methyl-3,4,6,7,8,9-hexahydroquinolizin-2-one is CC1=C2CCCCN2CCC1=O.
What is the InChIKey of 1-methyl-3,4,6,7,8,9-hexahydroquinolizin-2-one?
The InChIKey is IJJZGETYKIKDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8-9-4-2-3-6-11(9)7-5-10(8)12/h2-7H2,1H3.
What are the key properties of 1-methyl-3,4,6,7,8,9-hexahydroquinolizin-2-one?
1-methyl-3,4,6,7,8,9-hexahydroquinolizin-2-one has a molecular weight of 165.24 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4,6,7,8,9-hexahydroquinolizin-2-one is sourced from PubChem (CID 10607132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).