dipotassium;hydride;2-methoxy-4,5-dihydrothieno[2,3-c]pyrrol-6-one;methyl 3-(aminomethyl)-5-fluorothiophene-2-carboxylate;oxido formate

C15H17FK2N2O7S2 — CID 159832924

IUPACdipotassium;hydride;2-methoxy-4,5-dihydrothieno[2,3-c]pyrrol-6-one;methyl 3-(aminomethyl)-5-fluorothiophene-2-carboxylate;oxido formate
SMILESCOC(=O)c1sc(F)cc1CN.COc1cc2c(s1)C(=O)NC2.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C7H8FNO2S.C7H7NO2S.CH2O3.2K.H/c1-11-7(10)6-4(3-9)2-5(8)12-6;1-10-5-2-4-3-8-7(9)6(4)11-5;2-1-4-3;;;/h2H,3,9H2,1H3;2H,3H2,1H3,(H,8,9);1,3H;;;/q;;;2*+1;-1/p-1
InChIKeyFSIUVFQIQITCIG-UHFFFAOYSA-M
MW498.64 g/mol
LogP-5.31
Rot. Bonds4

About dipotassium;hydride;2-methoxy-4,5-dihydrothieno[2,3-c]pyrrol-6-one;methyl 3-(aminomethyl)-5-fluorothiophene-2-carboxylate;oxido formate

dipotassium;hydride;2-methoxy-4,5-dihydrothieno[2,3-c]pyrrol-6-one;methyl 3-(aminomethyl)-5-fluorothiophene-2-carboxylate;oxido formate (PubChem CID 159832924) has the molecular formula C15H17FK2N2O7S2 and a molecular weight of 498.64 g/mol. Its IUPAC name is dipotassium;hydride;2-methoxy-4,5-dihydrothieno[2,3-c]pyrrol-6-one;methyl 3-(aminomethyl)-5-fluorothiophene-2-carboxylate;oxido formate.

Molecular Properties

Compound Namedipotassium;hydride;2-methoxy-4,5-dihydrothieno[2,3-c]pyrrol-6-one;methyl 3-(aminomethyl)-5-fluorothiophene-2-carboxylate;oxido formate
PubChem CID159832924
Molecular FormulaC15H17FK2N2O7S2
Molecular Weight498.64 g/mol
Exact Mass497.97
IUPAC Namedipotassium;hydride;2-methoxy-4,5-dihydrothieno[2,3-c]pyrrol-6-one;methyl 3-(aminomethyl)-5-fluorothiophene-2-carboxylate;oxido formate
SMILESCOC(=O)c1sc(F)cc1CN.COc1cc2c(s1)C(=O)NC2.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C7H8FNO2S.C7H7NO2S.CH2O3.2K.H/c1-11-7(10)6-4(3-9)2-5(8)12-6;1-10-5-2-4-3-8-7(9)6(4)11-5;2-1-4-3;;;/h2H,3,9H2,1H3;2H,3H2,1H3,(H,8,9);1,3H;;;/q;;;2*+1;-1/p-1
InChIKeyFSIUVFQIQITCIG-UHFFFAOYSA-M
XLogP-5.31
TPSA140.01 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.64
LogP ≤ 5-5.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze dipotassium;hydride;2-methoxy-4,5-dihydrothieno[2,3-c]pyrrol-6-one;methyl 3-(aminomethyl)-5-fluorothiophene-2-carboxylate;oxido formate with MolForge

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Related Compounds

methyl 3-(aminomethyl)-5-fluorothiophene-2-carboxylate
CID 139307516
methyl 7-fluoro-1-oxo-2,3-dihydroisoindole-5-carboxylate
CID 169494928
methyl 3-nitro-5-(6-oxo-4,5-dihydrothieno[2,3-c]pyrrol-2-yl)benzoate
CID 167785734
methyl 5-chloro-3-fluorothiophene-2-carboxylate
CID 71425499
dipotassium;7-fluoro-5-[(5-methoxy-2-pyridinyl)methoxy]-2,3-dihydroisoindol-1-one;carbonate
CID 174189907
methyl 4-(aminomethyl)-5-fluoro-2-nitrobenzoate
CID 67678167
methyl 7-methyl-1-oxo-2,3-dihydroisoindole-5-carboxylate
CID 155893514
methyl 3-(aminomethyl)thiophene-2-carboxylate;methyl 3-(bromomethyl)thiophene-2-carboxylate
CID 157354994
methyl 1-methyl-2-oxo-3,4-dihydroquinazoline-6-carboxylate
CID 156503281
methyl 3-amino-5-(ethylamino)thiophene-2-carboxylate
CID 103424518
methyl 4-amino-3-(aminomethyl)-5-methoxybenzoate
CID 122501341
methyl 2-(aminomethyl)-6-cyano-4-fluorobenzoate
CID 131470650

Frequently Asked Questions

What is the IUPAC name of dipotassium;hydride;2-methoxy-4,5-dihydrothieno[2,3-c]pyrrol-6-one;methyl 3-(aminomethyl)-5-fluorothiophene-2-carboxylate;oxido formate?
The IUPAC name of dipotassium;hydride;2-methoxy-4,5-dihydrothieno[2,3-c]pyrrol-6-one;methyl 3-(aminomethyl)-5-fluorothiophene-2-carboxylate;oxido formate (CID 159832924) is dipotassium;hydride;2-methoxy-4,5-dihydrothieno[2,3-c]pyrrol-6-one;methyl 3-(aminomethyl)-5-fluorothiophene-2-carboxylate;oxido formate.
What is the SMILES notation for dipotassium;hydride;2-methoxy-4,5-dihydrothieno[2,3-c]pyrrol-6-one;methyl 3-(aminomethyl)-5-fluorothiophene-2-carboxylate;oxido formate?
The canonical SMILES for dipotassium;hydride;2-methoxy-4,5-dihydrothieno[2,3-c]pyrrol-6-one;methyl 3-(aminomethyl)-5-fluorothiophene-2-carboxylate;oxido formate is COC(=O)c1sc(F)cc1CN.COc1cc2c(s1)C(=O)NC2.O=CO[O-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;hydride;2-methoxy-4,5-dihydrothieno[2,3-c]pyrrol-6-one;methyl 3-(aminomethyl)-5-fluorothiophene-2-carboxylate;oxido formate?
The InChIKey is FSIUVFQIQITCIG-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8FNO2S.C7H7NO2S.CH2O3.2K.H/c1-11-7(10)6-4(3-9)2-5(8)12-6;1-10-5-2-4-3-8-7(9)6(4)11-5;2-1-4-3;;;/h2H,3,9H2,1H3;2H,3H2,1H3,(H,8,9);1,3H;;;/q;;;2*+1;-1/p-1.
What are the key properties of dipotassium;hydride;2-methoxy-4,5-dihydrothieno[2,3-c]pyrrol-6-one;methyl 3-(aminomethyl)-5-fluorothiophene-2-carboxylate;oxido formate?
dipotassium;hydride;2-methoxy-4,5-dihydrothieno[2,3-c]pyrrol-6-one;methyl 3-(aminomethyl)-5-fluorothiophene-2-carboxylate;oxido formate has a molecular weight of 498.64 g/mol, XLogP of -5.31, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;hydride;2-methoxy-4,5-dihydrothieno[2,3-c]pyrrol-6-one;methyl 3-(aminomethyl)-5-fluorothiophene-2-carboxylate;oxido formate is sourced from PubChem (CID 159832924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).