8-phenyl-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-5-one

C18H17NO — CID 162419545

IUPAC8-phenyl-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-5-one
SMILESO=C1c2ccc(-c3ccccc3)cc2CC2CCCN12
InChIInChI=1S/C18H17NO/c20-18-17-9-8-14(13-5-2-1-3-6-13)11-15(17)12-16-7-4-10-19(16)18/h1-3,5-6,8-9,11,16H,4,7,10,12H2
InChIKeyIMLFHDRHPMDMKX-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.51
Rot. Bonds1

About 8-phenyl-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-5-one

8-phenyl-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-5-one (PubChem CID 162419545) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 8-phenyl-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-5-one.

Molecular Properties

Compound Name8-phenyl-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-5-one
PubChem CID162419545
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name8-phenyl-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-5-one
SMILESO=C1c2ccc(-c3ccccc3)cc2CC2CCCN12
InChIInChI=1S/C18H17NO/c20-18-17-9-8-14(13-5-2-1-3-6-13)11-15(17)12-16-7-4-10-19(16)18/h1-3,5-6,8-9,11,16H,4,7,10,12H2
InChIKeyIMLFHDRHPMDMKX-UHFFFAOYSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-phenyl-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-5-one?
The IUPAC name of 8-phenyl-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-5-one (CID 162419545) is 8-phenyl-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-5-one.
What is the SMILES notation for 8-phenyl-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-5-one?
The canonical SMILES for 8-phenyl-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-5-one is O=C1c2ccc(-c3ccccc3)cc2CC2CCCN12.
What is the InChIKey of 8-phenyl-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-5-one?
The InChIKey is IMLFHDRHPMDMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c20-18-17-9-8-14(13-5-2-1-3-6-13)11-15(17)12-16-7-4-10-19(16)18/h1-3,5-6,8-9,11,16H,4,7,10,12H2.
What are the key properties of 8-phenyl-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-5-one?
8-phenyl-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-5-one has a molecular weight of 263.34 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-2,3,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-5-one is sourced from PubChem (CID 162419545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).