3,4,6,7,8,9-hexahydro-2H-quinolizin-1-yl(phenyl)methanone

C16H19NO — CID 86034172

IUPAC3,4,6,7,8,9-hexahydro-2H-quinolizin-1-yl(phenyl)methanone
SMILESO=C(C1=C2CCCCN2CCC1)c1ccccc1
InChIInChI=1S/C16H19NO/c18-16(13-7-2-1-3-8-13)14-9-6-12-17-11-5-4-10-15(14)17/h1-3,7-8H,4-6,9-12H2
InChIKeyHSFDSZJJGPMMRF-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.40
Rot. Bonds2

About 3,4,6,7,8,9-hexahydro-2H-quinolizin-1-yl(phenyl)methanone

3,4,6,7,8,9-hexahydro-2H-quinolizin-1-yl(phenyl)methanone (PubChem CID 86034172) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 3,4,6,7,8,9-hexahydro-2H-quinolizin-1-yl(phenyl)methanone.

Molecular Properties

Compound Name3,4,6,7,8,9-hexahydro-2H-quinolizin-1-yl(phenyl)methanone
PubChem CID86034172
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name3,4,6,7,8,9-hexahydro-2H-quinolizin-1-yl(phenyl)methanone
SMILESO=C(C1=C2CCCCN2CCC1)c1ccccc1
InChIInChI=1S/C16H19NO/c18-16(13-7-2-1-3-8-13)14-9-6-12-17-11-5-4-10-15(14)17/h1-3,7-8H,4-6,9-12H2
InChIKeyHSFDSZJJGPMMRF-UHFFFAOYSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,8,9-hexahydro-2H-quinolizin-1-yl(phenyl)methanone?
The IUPAC name of 3,4,6,7,8,9-hexahydro-2H-quinolizin-1-yl(phenyl)methanone (CID 86034172) is 3,4,6,7,8,9-hexahydro-2H-quinolizin-1-yl(phenyl)methanone.
What is the SMILES notation for 3,4,6,7,8,9-hexahydro-2H-quinolizin-1-yl(phenyl)methanone?
The canonical SMILES for 3,4,6,7,8,9-hexahydro-2H-quinolizin-1-yl(phenyl)methanone is O=C(C1=C2CCCCN2CCC1)c1ccccc1.
What is the InChIKey of 3,4,6,7,8,9-hexahydro-2H-quinolizin-1-yl(phenyl)methanone?
The InChIKey is HSFDSZJJGPMMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c18-16(13-7-2-1-3-8-13)14-9-6-12-17-11-5-4-10-15(14)17/h1-3,7-8H,4-6,9-12H2.
What are the key properties of 3,4,6,7,8,9-hexahydro-2H-quinolizin-1-yl(phenyl)methanone?
3,4,6,7,8,9-hexahydro-2H-quinolizin-1-yl(phenyl)methanone has a molecular weight of 241.33 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,8,9-hexahydro-2H-quinolizin-1-yl(phenyl)methanone is sourced from PubChem (CID 86034172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).