3-methyl-3a,5,5a,6,7,8,9,10a-octahydro-1H-cyclopenta[c]quinolizin-4-one

C13H19NO — CID 169001043

IUPAC3-methyl-3a,5,5a,6,7,8,9,10a-octahydro-1H-cyclopenta[c]quinolizin-4-one
SMILESCC1=CCC2C1C(=O)CC1CCCCN12
InChIInChI=1S/C13H19NO/c1-9-5-6-11-13(9)12(15)8-10-4-2-3-7-14(10)11/h5,10-11,13H,2-4,6-8H2,1H3
InChIKeyWTFIZYWLRXPJKY-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.15
Rot. Bonds

About 3-methyl-3a,5,5a,6,7,8,9,10a-octahydro-1H-cyclopenta[c]quinolizin-4-one

3-methyl-3a,5,5a,6,7,8,9,10a-octahydro-1H-cyclopenta[c]quinolizin-4-one (PubChem CID 169001043) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-methyl-3a,5,5a,6,7,8,9,10a-octahydro-1H-cyclopenta[c]quinolizin-4-one.

Molecular Properties

Compound Name3-methyl-3a,5,5a,6,7,8,9,10a-octahydro-1H-cyclopenta[c]quinolizin-4-one
PubChem CID169001043
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-methyl-3a,5,5a,6,7,8,9,10a-octahydro-1H-cyclopenta[c]quinolizin-4-one
SMILESCC1=CCC2C1C(=O)CC1CCCCN12
InChIInChI=1S/C13H19NO/c1-9-5-6-11-13(9)12(15)8-10-4-2-3-7-14(10)11/h5,10-11,13H,2-4,6-8H2,1H3
InChIKeyWTFIZYWLRXPJKY-UHFFFAOYSA-N
XLogP2.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3a,5,5a,6,7,8,9,10a-octahydro-1H-cyclopenta[c]quinolizin-4-one?
The IUPAC name of 3-methyl-3a,5,5a,6,7,8,9,10a-octahydro-1H-cyclopenta[c]quinolizin-4-one (CID 169001043) is 3-methyl-3a,5,5a,6,7,8,9,10a-octahydro-1H-cyclopenta[c]quinolizin-4-one.
What is the SMILES notation for 3-methyl-3a,5,5a,6,7,8,9,10a-octahydro-1H-cyclopenta[c]quinolizin-4-one?
The canonical SMILES for 3-methyl-3a,5,5a,6,7,8,9,10a-octahydro-1H-cyclopenta[c]quinolizin-4-one is CC1=CCC2C1C(=O)CC1CCCCN12.
What is the InChIKey of 3-methyl-3a,5,5a,6,7,8,9,10a-octahydro-1H-cyclopenta[c]quinolizin-4-one?
The InChIKey is WTFIZYWLRXPJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9-5-6-11-13(9)12(15)8-10-4-2-3-7-14(10)11/h5,10-11,13H,2-4,6-8H2,1H3.
What are the key properties of 3-methyl-3a,5,5a,6,7,8,9,10a-octahydro-1H-cyclopenta[c]quinolizin-4-one?
3-methyl-3a,5,5a,6,7,8,9,10a-octahydro-1H-cyclopenta[c]quinolizin-4-one has a molecular weight of 205.30 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3a,5,5a,6,7,8,9,10a-octahydro-1H-cyclopenta[c]quinolizin-4-one is sourced from PubChem (CID 169001043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).