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

C13H15FN2O2 — CID 155598366

IUPAC(10bS)-10-fluoro-N-hydroxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide
SMILESO=C(NO)c1cc(F)c2c(c1)CCN1CCC[C@@H]21
InChIInChI=1S/C13H15FN2O2/c14-10-7-9(13(17)15-18)6-8-3-5-16-4-1-2-11(16)12(8)10/h6-7,11,18H,1-5H2,(H,15,17)/t11-/m0/s1
InChIKeyQTHHPUCUROBUAK-NSHDSACASA-N
MW250.27 g/mol
LogP1.64
Rot. Bonds1

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

(10bS)-10-fluoro-N-hydroxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide (PubChem CID 155598366) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is (10bS)-10-fluoro-N-hydroxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide.

Molecular Properties

Compound Name(10bS)-10-fluoro-N-hydroxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide
PubChem CID155598366
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name(10bS)-10-fluoro-N-hydroxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide
SMILESO=C(NO)c1cc(F)c2c(c1)CCN1CCC[C@@H]21
InChIInChI=1S/C13H15FN2O2/c14-10-7-9(13(17)15-18)6-8-3-5-16-4-1-2-11(16)12(8)10/h6-7,11,18H,1-5H2,(H,15,17)/t11-/m0/s1
InChIKeyQTHHPUCUROBUAK-NSHDSACASA-N
XLogP1.64
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.64
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 (10bS)-10-fluoro-N-hydroxy-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
(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
2-cyclobutyl-5-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 164868725
2-(2-cyclopropyl-2-azaspiro[3.5]nonan-7-yl)-8-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 164868826
8-fluoro-N-hydroxy-2-[(8S)-spiro[3.5]nonan-8-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 171594598
8-fluoro-N-hydroxy-2-[(3S)-spiro[3.5]nonan-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 155598450
8-fluoro-N-hydroxy-2-[(3R)-spiro[3.5]nonan-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 155598530
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-[(6S)-2-oxaspiro[3.4]octan-6-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 164867950
2-[(4S)-6-cyclopropyl-6-azaspiro[3.5]nonan-3-yl]-8-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 171594453
2-[(8S)-5-azaspiro[3.5]nonan-8-yl]-8-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 164868497
2-[(8R)-5-azaspiro[3.5]nonan-8-yl]-8-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 164867980

Frequently Asked Questions

What is the IUPAC name of (10bS)-10-fluoro-N-hydroxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide?
The IUPAC name of (10bS)-10-fluoro-N-hydroxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide (CID 155598366) is (10bS)-10-fluoro-N-hydroxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide.
What is the SMILES notation for (10bS)-10-fluoro-N-hydroxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide?
The canonical SMILES for (10bS)-10-fluoro-N-hydroxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide is O=C(NO)c1cc(F)c2c(c1)CCN1CCC[C@@H]21.
What is the InChIKey of (10bS)-10-fluoro-N-hydroxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide?
The InChIKey is QTHHPUCUROBUAK-NSHDSACASA-N. The full InChI is InChI=1S/C13H15FN2O2/c14-10-7-9(13(17)15-18)6-8-3-5-16-4-1-2-11(16)12(8)10/h6-7,11,18H,1-5H2,(H,15,17)/t11-/m0/s1.
What are the key properties of (10bS)-10-fluoro-N-hydroxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide?
(10bS)-10-fluoro-N-hydroxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide has a molecular weight of 250.27 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10bS)-10-fluoro-N-hydroxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-8-carboxamide is sourced from PubChem (CID 155598366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).