1-(4-methyl-7,8,9,9a-tetrahydro-6H-quinolizin-3-yl)ethanone

C12H17NO — CID 135038619

IUPAC1-(4-methyl-7,8,9,9a-tetrahydro-6H-quinolizin-3-yl)ethanone
SMILESCC(=O)C1=C(C)N2CCCCC2C=C1
InChIInChI=1S/C12H17NO/c1-9-12(10(2)14)7-6-11-5-3-4-8-13(9)11/h6-7,11H,3-5,8H2,1-2H3
InChIKeyRLPYPPYQDLLBJZ-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.27
Rot. Bonds1

About 1-(4-methyl-7,8,9,9a-tetrahydro-6H-quinolizin-3-yl)ethanone

1-(4-methyl-7,8,9,9a-tetrahydro-6H-quinolizin-3-yl)ethanone (PubChem CID 135038619) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(4-methyl-7,8,9,9a-tetrahydro-6H-quinolizin-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-methyl-7,8,9,9a-tetrahydro-6H-quinolizin-3-yl)ethanone
PubChem CID135038619
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(4-methyl-7,8,9,9a-tetrahydro-6H-quinolizin-3-yl)ethanone
SMILESCC(=O)C1=C(C)N2CCCCC2C=C1
InChIInChI=1S/C12H17NO/c1-9-12(10(2)14)7-6-11-5-3-4-8-13(9)11/h6-7,11H,3-5,8H2,1-2H3
InChIKeyRLPYPPYQDLLBJZ-UHFFFAOYSA-N
XLogP2.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-7,8,9,9a-tetrahydro-6H-quinolizin-3-yl)ethanone?
The IUPAC name of 1-(4-methyl-7,8,9,9a-tetrahydro-6H-quinolizin-3-yl)ethanone (CID 135038619) is 1-(4-methyl-7,8,9,9a-tetrahydro-6H-quinolizin-3-yl)ethanone.
What is the SMILES notation for 1-(4-methyl-7,8,9,9a-tetrahydro-6H-quinolizin-3-yl)ethanone?
The canonical SMILES for 1-(4-methyl-7,8,9,9a-tetrahydro-6H-quinolizin-3-yl)ethanone is CC(=O)C1=C(C)N2CCCCC2C=C1.
What is the InChIKey of 1-(4-methyl-7,8,9,9a-tetrahydro-6H-quinolizin-3-yl)ethanone?
The InChIKey is RLPYPPYQDLLBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-12(10(2)14)7-6-11-5-3-4-8-13(9)11/h6-7,11H,3-5,8H2,1-2H3.
What are the key properties of 1-(4-methyl-7,8,9,9a-tetrahydro-6H-quinolizin-3-yl)ethanone?
1-(4-methyl-7,8,9,9a-tetrahydro-6H-quinolizin-3-yl)ethanone has a molecular weight of 191.27 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-7,8,9,9a-tetrahydro-6H-quinolizin-3-yl)ethanone is sourced from PubChem (CID 135038619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).