8-chloro-9-hydroxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one

C12H12ClNO2 — CID 71460531

IUPAC8-chloro-9-hydroxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
SMILESO=C1CCC2c3cc(O)c(Cl)cc3CCN12
InChIInChI=1S/C12H12ClNO2/c13-9-5-7-3-4-14-10(1-2-12(14)16)8(7)6-11(9)15/h5-6,10,15H,1-4H2
InChIKeySPWOTKCHXJSVMJ-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.27
Rot. Bonds

About 8-chloro-9-hydroxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one

8-chloro-9-hydroxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one (PubChem CID 71460531) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 8-chloro-9-hydroxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one.

Molecular Properties

Compound Name8-chloro-9-hydroxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
PubChem CID71460531
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name8-chloro-9-hydroxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
SMILESO=C1CCC2c3cc(O)c(Cl)cc3CCN12
InChIInChI=1S/C12H12ClNO2/c13-9-5-7-3-4-14-10(1-2-12(14)16)8(7)6-11(9)15/h5-6,10,15H,1-4H2
InChIKeySPWOTKCHXJSVMJ-UHFFFAOYSA-N
XLogP2.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-9-hydroxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one?
The IUPAC name of 8-chloro-9-hydroxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one (CID 71460531) is 8-chloro-9-hydroxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one.
What is the SMILES notation for 8-chloro-9-hydroxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one?
The canonical SMILES for 8-chloro-9-hydroxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one is O=C1CCC2c3cc(O)c(Cl)cc3CCN12.
What is the InChIKey of 8-chloro-9-hydroxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one?
The InChIKey is SPWOTKCHXJSVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c13-9-5-7-3-4-14-10(1-2-12(14)16)8(7)6-11(9)15/h5-6,10,15H,1-4H2.
What are the key properties of 8-chloro-9-hydroxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one?
8-chloro-9-hydroxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one has a molecular weight of 237.69 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-9-hydroxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one is sourced from PubChem (CID 71460531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).