(2R,3R,10bS)-10-fluoro-N-hydroxy-2,3-dimethyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide

C15H19FN2O2 — CID 164868790

IUPAC(2R,3R,10bS)-10-fluoro-N-hydroxy-2,3-dimethyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide
SMILESC[C@@H]1C[C@H]2c3c(F)cc(C(=O)NO)cc3CCN2[C@@H]1C
InChIInChI=1S/C15H19FN2O2/c1-8-5-13-14-10(3-4-18(13)9(8)2)6-11(7-12(14)16)15(19)17-20/h6-9,13,20H,3-5H2,1-2H3,(H,17,19)/t8-,9-,13+/m1/s1
InChIKeyDPFFADUMXUDCFB-KKFJDGPESA-N
MW278.33 g/mol
LogP2.27
Rot. Bonds1

About (2R,3R,10bS)-10-fluoro-N-hydroxy-2,3-dimethyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide

(2R,3R,10bS)-10-fluoro-N-hydroxy-2,3-dimethyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide (PubChem CID 164868790) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is (2R,3R,10bS)-10-fluoro-N-hydroxy-2,3-dimethyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide.

Molecular Properties

Compound Name(2R,3R,10bS)-10-fluoro-N-hydroxy-2,3-dimethyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide
PubChem CID164868790
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name(2R,3R,10bS)-10-fluoro-N-hydroxy-2,3-dimethyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide
SMILESC[C@@H]1C[C@H]2c3c(F)cc(C(=O)NO)cc3CCN2[C@@H]1C
InChIInChI=1S/C15H19FN2O2/c1-8-5-13-14-10(3-4-18(13)9(8)2)6-11(7-12(14)16)15(19)17-20/h6-9,13,20H,3-5H2,1-2H3,(H,17,19)/t8-,9-,13+/m1/s1
InChIKeyDPFFADUMXUDCFB-KKFJDGPESA-N
XLogP2.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R,3R,10bS)-10-fluoro-N-hydroxy-2,3-dimethyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide with MolForge

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Related Compounds

(2S,10bR)-10-fluoro-N-hydroxy-2-methyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide
CID 155598473
(10bS)-10-fluoro-N-hydroxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide
CID 155598366
methyl (3R,10bS)-10-fluoro-3-methyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxylate
CID 164868429
CID 164868362
CID 164868362
8-fluoro-N-hydroxy-2-(2-methyl-2-azaspiro[3.5]nonan-7-yl)-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 164868132
8-fluoro-N-hydroxy-2-[(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)methyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 164868272
2-[(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)methyl]-8-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 155598384
5-fluoro-N-hydroxy-3-methyl-2-propyl-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 164868377
2-(2-cyclopropyl-2-azaspiro[3.5]nonan-7-yl)-8-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 164868826
5-fluoro-N-hydroxy-2-propyl-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 155598438
2-cyclobutyl-5-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 164868725
8-fluoro-N-hydroxy-2-[3-[3-(methylamino)propyl]cyclobutyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide;molecular hydrogen
CID 164868845

Frequently Asked Questions

What is the IUPAC name of (2R,3R,10bS)-10-fluoro-N-hydroxy-2,3-dimethyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide?
The IUPAC name of (2R,3R,10bS)-10-fluoro-N-hydroxy-2,3-dimethyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide (CID 164868790) is (2R,3R,10bS)-10-fluoro-N-hydroxy-2,3-dimethyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide.
What is the SMILES notation for (2R,3R,10bS)-10-fluoro-N-hydroxy-2,3-dimethyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide?
The canonical SMILES for (2R,3R,10bS)-10-fluoro-N-hydroxy-2,3-dimethyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide is C[C@@H]1C[C@H]2c3c(F)cc(C(=O)NO)cc3CCN2[C@@H]1C.
What is the InChIKey of (2R,3R,10bS)-10-fluoro-N-hydroxy-2,3-dimethyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide?
The InChIKey is DPFFADUMXUDCFB-KKFJDGPESA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-8-5-13-14-10(3-4-18(13)9(8)2)6-11(7-12(14)16)15(19)17-20/h6-9,13,20H,3-5H2,1-2H3,(H,17,19)/t8-,9-,13+/m1/s1.
What are the key properties of (2R,3R,10bS)-10-fluoro-N-hydroxy-2,3-dimethyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide?
(2R,3R,10bS)-10-fluoro-N-hydroxy-2,3-dimethyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,10bS)-10-fluoro-N-hydroxy-2,3-dimethyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide is sourced from PubChem (CID 164868790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).