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

C14H17NO2 — CID 810579

IUPAC(2S,10bS)-2-hydroxy-5,5-dimethyl-1,2,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3-one
SMILESCC1(C)Cc2ccccc2[C@@H]2C[C@H](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/t11-,12-/m0/s1
InChIKeyJARCDROXSKEJGZ-RYUDHWBXSA-N
MW231.29 g/mol
LogP1.66
Rot. Bonds

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

(2S,10bS)-2-hydroxy-5,5-dimethyl-1,2,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3-one (PubChem CID 810579) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is (2S,10bS)-2-hydroxy-5,5-dimethyl-1,2,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3-one.

Molecular Properties

Compound Name(2S,10bS)-2-hydroxy-5,5-dimethyl-1,2,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3-one
PubChem CID810579
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name(2S,10bS)-2-hydroxy-5,5-dimethyl-1,2,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3-one
SMILESCC1(C)Cc2ccccc2[C@@H]2C[C@H](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/t11-,12-/m0/s1
InChIKeyJARCDROXSKEJGZ-RYUDHWBXSA-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

Analyze (2S,10bS)-2-hydroxy-5,5-dimethyl-1,2,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3-one with MolForge

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Related Compounds

2-Hydroxy-5,5-dimethyl-1,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3(2H)-one
CID 589128
2'-hydroxy-1',2',6',10b'-tetrahydro-3'H-spiro[cyclopentane-1,5'-pyrrolo[2,1-a]isoquinolin]-3'-one
CID 4536409
(5S,10bR)-5-(hydroxymethyl)-10b-methyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one
CID 15511540
(5S,10bR)-5-(hydroxymethyl)-10b-methyl-2,2-bis(prop-2-enyl)-5,6-dihydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
CID 122177941
(5S,10bR)-5-(hydroxymethyl)-10b-methylspiro[5,6-dihydro-1H-pyrrolo[2,1-a]isoquinoline-2,4'-cyclopentene]-3-one
CID 122177943
(5S,10bR)-5-(hydroxymethyl)-10b-methylspiro[5,6-dihydro-1H-pyrrolo[2,1-a]isoquinoline-2,1'-cyclopentane]-3-one
CID 122177944
(5R)-3-hydroxy-1-methyl-5-phenylpyrrolidin-2-one
CID 389093
(5R)-5-(4-fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one
CID 389094
5-(2-Fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one
CID 389891
5-(3-Fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one
CID 389892
3-Hydroxy-1-methyl-5-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 389893
5-(4-Fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one
CID 496299

Frequently Asked Questions

What is the IUPAC name of (2S,10bS)-2-hydroxy-5,5-dimethyl-1,2,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3-one?
The IUPAC name of (2S,10bS)-2-hydroxy-5,5-dimethyl-1,2,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3-one (CID 810579) is (2S,10bS)-2-hydroxy-5,5-dimethyl-1,2,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3-one.
What is the SMILES notation for (2S,10bS)-2-hydroxy-5,5-dimethyl-1,2,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3-one?
The canonical SMILES for (2S,10bS)-2-hydroxy-5,5-dimethyl-1,2,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3-one is CC1(C)Cc2ccccc2[C@@H]2C[C@H](O)C(=O)N21.
What is the InChIKey of (2S,10bS)-2-hydroxy-5,5-dimethyl-1,2,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3-one?
The InChIKey is JARCDROXSKEJGZ-RYUDHWBXSA-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/t11-,12-/m0/s1.
What are the key properties of (2S,10bS)-2-hydroxy-5,5-dimethyl-1,2,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3-one?
(2S,10bS)-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 (2S,10bS)-2-hydroxy-5,5-dimethyl-1,2,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3-one is sourced from PubChem (CID 810579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).