6-benzyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

C15H19NO — CID 86151500

IUPAC6-benzyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESO=C1C(Cc2ccccc2)CCC2CCCN12
InChIInChI=1S/C15H19NO/c17-15-13(11-12-5-2-1-3-6-12)8-9-14-7-4-10-16(14)15/h1-3,5-6,13-14H,4,7-11H2
InChIKeyDWYDCLJYPINYER-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.63
Rot. Bonds2

About 6-benzyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

6-benzyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (PubChem CID 86151500) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 6-benzyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name6-benzyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
PubChem CID86151500
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name6-benzyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESO=C1C(Cc2ccccc2)CCC2CCCN12
InChIInChI=1S/C15H19NO/c17-15-13(11-12-5-2-1-3-6-12)8-9-14-7-4-10-16(14)15/h1-3,5-6,13-14H,4,7-11H2
InChIKeyDWYDCLJYPINYER-UHFFFAOYSA-N
XLogP2.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 11695680
(3S)-1-cyclohexyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 129383097
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CID 64969345
1-(2-methylcyclohexyl)-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one
CID 59299356
3-benzyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 59741125
(3S,8aS)-3-benzyl-2-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 3082463
(7aS)-2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
CID 46222885
6-amino-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 117273495
(1R,7S,10S,13R,19S,22R,26Z)-10,22-dibenzyl-3,9,12,15,21,24-hexazatetracyclo[11.11.4.03,7.015,19]octacos-26-ene-2,8,11,14,20,23-hexone
CID 101352496

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The IUPAC name of 6-benzyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (CID 86151500) is 6-benzyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.
What is the SMILES notation for 6-benzyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The canonical SMILES for 6-benzyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is O=C1C(Cc2ccccc2)CCC2CCCN12.
What is the InChIKey of 6-benzyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The InChIKey is DWYDCLJYPINYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c17-15-13(11-12-5-2-1-3-6-12)8-9-14-7-4-10-16(14)15/h1-3,5-6,13-14H,4,7-11H2.
What are the key properties of 6-benzyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
6-benzyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one has a molecular weight of 229.32 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is sourced from PubChem (CID 86151500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).