2-hydroxy-5,5-dimethyl-1,2,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3-one

C14H17NO2 — CID 589128

IUPAC2-hydroxy-5,5-dimethyl-1,2,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3-one
SMILESCC1(C)Cc2ccccc2C2CC(O)C(=O)N21
InChIInChI=1S/C14H17NO2/c1-14(2)8-9-5-3-4-6-10(9)11-7-12(16)13(17)15(11)14/h3-6,11-12,16H,7-8H2,1-2H3
InChIKeyJARCDROXSKEJGZ-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.66
Rot. Bonds

About 2-hydroxy-5,5-dimethyl-1,2,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3-one

2-hydroxy-5,5-dimethyl-1,2,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3-one (PubChem CID 589128) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-hydroxy-5,5-dimethyl-1,2,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3-one.

Molecular Properties

Compound Name2-hydroxy-5,5-dimethyl-1,2,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3-one
PubChem CID589128
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name2-hydroxy-5,5-dimethyl-1,2,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3-one
SMILESCC1(C)Cc2ccccc2C2CC(O)C(=O)N21
InChIInChI=1S/C14H17NO2/c1-14(2)8-9-5-3-4-6-10(9)11-7-12(16)13(17)15(11)14/h3-6,11-12,16H,7-8H2,1-2H3
InChIKeyJARCDROXSKEJGZ-UHFFFAOYSA-N
XLogP1.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5,5-dimethyl-1,2,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3-one?
The IUPAC name of 2-hydroxy-5,5-dimethyl-1,2,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3-one (CID 589128) is 2-hydroxy-5,5-dimethyl-1,2,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3-one.
What is the SMILES notation for 2-hydroxy-5,5-dimethyl-1,2,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3-one?
The canonical SMILES for 2-hydroxy-5,5-dimethyl-1,2,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3-one is CC1(C)Cc2ccccc2C2CC(O)C(=O)N21.
What is the InChIKey of 2-hydroxy-5,5-dimethyl-1,2,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3-one?
The InChIKey is JARCDROXSKEJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-14(2)8-9-5-3-4-6-10(9)11-7-12(16)13(17)15(11)14/h3-6,11-12,16H,7-8H2,1-2H3.
What are the key properties of 2-hydroxy-5,5-dimethyl-1,2,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3-one?
2-hydroxy-5,5-dimethyl-1,2,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3-one has a molecular weight of 231.29 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5,5-dimethyl-1,2,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3-one is sourced from PubChem (CID 589128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).