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

C18H17NO — CID 155681236

IUPAC1-phenyl-2,5,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-3-one
SMILESO=C1CC(c2ccccc2)C2Cc3ccccc3CN12
InChIInChI=1S/C18H17NO/c20-18-11-16(13-6-2-1-3-7-13)17-10-14-8-4-5-9-15(14)12-19(17)18/h1-9,16-17H,10-12H2
InChIKeyRXXVLFIXJAOCBH-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.13
Rot. Bonds1

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

1-phenyl-2,5,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-3-one (PubChem CID 155681236) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-phenyl-2,5,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-3-one.

Molecular Properties

Compound Name1-phenyl-2,5,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-3-one
PubChem CID155681236
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name1-phenyl-2,5,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-3-one
SMILESO=C1CC(c2ccccc2)C2Cc3ccccc3CN12
InChIInChI=1S/C18H17NO/c20-18-11-16(13-6-2-1-3-7-13)17-10-14-8-4-5-9-15(14)12-19(17)18/h1-9,16-17H,10-12H2
InChIKeyRXXVLFIXJAOCBH-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2,5,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-3-one?
The IUPAC name of 1-phenyl-2,5,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-3-one (CID 155681236) is 1-phenyl-2,5,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-3-one.
What is the SMILES notation for 1-phenyl-2,5,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-3-one?
The canonical SMILES for 1-phenyl-2,5,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-3-one is O=C1CC(c2ccccc2)C2Cc3ccccc3CN12.
What is the InChIKey of 1-phenyl-2,5,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-3-one?
The InChIKey is RXXVLFIXJAOCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c20-18-11-16(13-6-2-1-3-7-13)17-10-14-8-4-5-9-15(14)12-19(17)18/h1-9,16-17H,10-12H2.
What are the key properties of 1-phenyl-2,5,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-3-one?
1-phenyl-2,5,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-3-one has a molecular weight of 263.34 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2,5,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-3-one is sourced from PubChem (CID 155681236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).