1-methyl-1,2,5,6,6a,10a-hexahydrobenzo[f]quinolizin-3-one

C14H17NO — CID 67618319

IUPAC1-methyl-1,2,5,6,6a,10a-hexahydrobenzo[f]quinolizin-3-one
SMILESCC1CC(=O)C=C2CCC3C=CC=CC3N21
InChIInChI=1S/C14H17NO/c1-10-8-13(16)9-12-7-6-11-4-2-3-5-14(11)15(10)12/h2-5,9-11,14H,6-8H2,1H3
InChIKeyNFXSLXJGTLFHLZ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.44
Rot. Bonds

About 1-methyl-1,2,5,6,6a,10a-hexahydrobenzo[f]quinolizin-3-one

1-methyl-1,2,5,6,6a,10a-hexahydrobenzo[f]quinolizin-3-one (PubChem CID 67618319) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-methyl-1,2,5,6,6a,10a-hexahydrobenzo[f]quinolizin-3-one.

Molecular Properties

Compound Name1-methyl-1,2,5,6,6a,10a-hexahydrobenzo[f]quinolizin-3-one
PubChem CID67618319
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-methyl-1,2,5,6,6a,10a-hexahydrobenzo[f]quinolizin-3-one
SMILESCC1CC(=O)C=C2CCC3C=CC=CC3N21
InChIInChI=1S/C14H17NO/c1-10-8-13(16)9-12-7-6-11-4-2-3-5-14(11)15(10)12/h2-5,9-11,14H,6-8H2,1H3
InChIKeyNFXSLXJGTLFHLZ-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,2,5,6,6a,10a-hexahydrobenzo[f]quinolizin-3-one?
The IUPAC name of 1-methyl-1,2,5,6,6a,10a-hexahydrobenzo[f]quinolizin-3-one (CID 67618319) is 1-methyl-1,2,5,6,6a,10a-hexahydrobenzo[f]quinolizin-3-one.
What is the SMILES notation for 1-methyl-1,2,5,6,6a,10a-hexahydrobenzo[f]quinolizin-3-one?
The canonical SMILES for 1-methyl-1,2,5,6,6a,10a-hexahydrobenzo[f]quinolizin-3-one is CC1CC(=O)C=C2CCC3C=CC=CC3N21.
What is the InChIKey of 1-methyl-1,2,5,6,6a,10a-hexahydrobenzo[f]quinolizin-3-one?
The InChIKey is NFXSLXJGTLFHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10-8-13(16)9-12-7-6-11-4-2-3-5-14(11)15(10)12/h2-5,9-11,14H,6-8H2,1H3.
What are the key properties of 1-methyl-1,2,5,6,6a,10a-hexahydrobenzo[f]quinolizin-3-one?
1-methyl-1,2,5,6,6a,10a-hexahydrobenzo[f]quinolizin-3-one has a molecular weight of 215.30 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,2,5,6,6a,10a-hexahydrobenzo[f]quinolizin-3-one is sourced from PubChem (CID 67618319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).