3-propyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one

C12H21NO — CID 134963983

IUPAC3-propyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one
SMILESCCCC1CN2CCCCC2CC1=O
InChIInChI=1S/C12H21NO/c1-2-5-10-9-13-7-4-3-6-11(13)8-12(10)14/h10-11H,2-9H2,1H3
InChIKeyZOWSOTBCWZFMQB-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.23
Rot. Bonds2

About 3-propyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one

3-propyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one (PubChem CID 134963983) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-propyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one.

Molecular Properties

Compound Name3-propyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one
PubChem CID134963983
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-propyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one
SMILESCCCC1CN2CCCCC2CC1=O
InChIInChI=1S/C12H21NO/c1-2-5-10-9-13-7-4-3-6-11(13)8-12(10)14/h10-11H,2-9H2,1H3
InChIKeyZOWSOTBCWZFMQB-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-propyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-propyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one?
The IUPAC name of 3-propyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one (CID 134963983) is 3-propyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one.
What is the SMILES notation for 3-propyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one?
The canonical SMILES for 3-propyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one is CCCC1CN2CCCCC2CC1=O.
What is the InChIKey of 3-propyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one?
The InChIKey is ZOWSOTBCWZFMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-5-10-9-13-7-4-3-6-11(13)8-12(10)14/h10-11H,2-9H2,1H3.
What are the key properties of 3-propyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one?
3-propyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one has a molecular weight of 195.31 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one is sourced from PubChem (CID 134963983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).