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

C15H17NO — CID 132546764

IUPAC1-benzyl-3,6,7,8-tetrahydro-2H-indolizin-5-one
SMILESO=C1CCCC2=C(Cc3ccccc3)CCN12
InChIInChI=1S/C15H17NO/c17-15-8-4-7-14-13(9-10-16(14)15)11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2
InChIKeyAUMRKHINWFUYFY-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.90
Rot. Bonds2

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

1-benzyl-3,6,7,8-tetrahydro-2H-indolizin-5-one (PubChem CID 132546764) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-benzyl-3,6,7,8-tetrahydro-2H-indolizin-5-one.

Molecular Properties

Compound Name1-benzyl-3,6,7,8-tetrahydro-2H-indolizin-5-one
PubChem CID132546764
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name1-benzyl-3,6,7,8-tetrahydro-2H-indolizin-5-one
SMILESO=C1CCCC2=C(Cc3ccccc3)CCN12
InChIInChI=1S/C15H17NO/c17-15-8-4-7-14-13(9-10-16(14)15)11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2
InChIKeyAUMRKHINWFUYFY-UHFFFAOYSA-N
XLogP2.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,6,7,8-tetrahydro-2H-indolizin-5-one?
The IUPAC name of 1-benzyl-3,6,7,8-tetrahydro-2H-indolizin-5-one (CID 132546764) is 1-benzyl-3,6,7,8-tetrahydro-2H-indolizin-5-one.
What is the SMILES notation for 1-benzyl-3,6,7,8-tetrahydro-2H-indolizin-5-one?
The canonical SMILES for 1-benzyl-3,6,7,8-tetrahydro-2H-indolizin-5-one is O=C1CCCC2=C(Cc3ccccc3)CCN12.
What is the InChIKey of 1-benzyl-3,6,7,8-tetrahydro-2H-indolizin-5-one?
The InChIKey is AUMRKHINWFUYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c17-15-8-4-7-14-13(9-10-16(14)15)11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2.
What are the key properties of 1-benzyl-3,6,7,8-tetrahydro-2H-indolizin-5-one?
1-benzyl-3,6,7,8-tetrahydro-2H-indolizin-5-one has a molecular weight of 227.31 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,6,7,8-tetrahydro-2H-indolizin-5-one is sourced from PubChem (CID 132546764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).