6-fluoro-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one

C12H12FNO — CID 170698036

IUPAC6-fluoro-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
SMILESO=C1CCC2c3ccccc3C(F)CN12
InChIInChI=1S/C12H12FNO/c13-10-7-14-11(5-6-12(14)15)9-4-2-1-3-8(9)10/h1-4,10-11H,5-7H2
InChIKeySVAWEEMNVVIYGT-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.37
Rot. Bonds

About 6-fluoro-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one

6-fluoro-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one (PubChem CID 170698036) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 6-fluoro-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one.

Molecular Properties

Compound Name6-fluoro-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
PubChem CID170698036
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name6-fluoro-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
SMILESO=C1CCC2c3ccccc3C(F)CN12
InChIInChI=1S/C12H12FNO/c13-10-7-14-11(5-6-12(14)15)9-4-2-1-3-8(9)10/h1-4,10-11H,5-7H2
InChIKeySVAWEEMNVVIYGT-UHFFFAOYSA-N
XLogP2.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one?
The IUPAC name of 6-fluoro-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one (CID 170698036) is 6-fluoro-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one.
What is the SMILES notation for 6-fluoro-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one?
The canonical SMILES for 6-fluoro-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one is O=C1CCC2c3ccccc3C(F)CN12.
What is the InChIKey of 6-fluoro-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one?
The InChIKey is SVAWEEMNVVIYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c13-10-7-14-11(5-6-12(14)15)9-4-2-1-3-8(9)10/h1-4,10-11H,5-7H2.
What are the key properties of 6-fluoro-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one?
6-fluoro-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one has a molecular weight of 205.23 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one is sourced from PubChem (CID 170698036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).