2-(4-aminopent-3-en-2-ylideneamino)acetaldehyde;1,3-benzoxazole-2-carbaldehyde;3-bromo-7H-cyclopenta[b]pyridine-5-carbaldehyde;7H-cyclopenta[b]pyridine-5-carbaldehyde;6-cyclopentyloxypyridine-3-carbaldehyde;(Z)-dec-4-enal;2,3-difluoro-4-(trifluoromethyl)benzaldehyde;2,3-dihydro-1,4-benzodioxine-5-carbaldehyde;2,5-dimethoxybenzaldehyde;2-ethynylbenzaldehyde;4-ethynylbenzaldehyde;1-(fluoromethyl)benzimidazole-2-carbaldehyde;4-formylbenzoic acid;(2-formylphenyl)boronic acid;(E)-3-(furan-2-yl)prop-2-enal;molecular hydrogen;2-morpholin-4-ylbenzaldehyde;2-phenylcyclopropane-1-carbaldehyde;1H-pyrazole-5-carbaldehyde;4-pyrimidin-2-ylbenzaldehyde;2,2,2-trifluoroacetaldehyde;hydrate;hydrochloride

C167H163BBrClF9N13O33 — CID 160895372

IUPAC2-(4-aminopent-3-en-2-ylideneamino)acetaldehyde;1,3-benzoxazole-2-carbaldehyde;3-bromo-7H-cyclopenta[b]pyridine-5-carbaldehyde;7H-cyclopenta[b]pyridine-5-carbaldehyde;6-cyclopentyloxypyridine-3-carbaldehyde;(Z)-dec-4-enal;2,3-difluoro-4-(trifluoromethyl)benzaldehyde;2,3-dihydro-1,4-benzodioxine-5-carbaldehyde;2,5-dimethoxybenzaldehyde;2-ethynylbenzaldehyde;4-ethynylbenzaldehyde;1-(fluoromethyl)benzimidazole-2-carbaldehyde;4-formylbenzoic acid;(2-formylphenyl)boronic acid;(E)-3-(furan-2-yl)prop-2-enal;molecular hydrogen;2-morpholin-4-ylbenzaldehyde;2-phenylcyclopropane-1-carbaldehyde;1H-pyrazole-5-carbaldehyde;4-pyrimidin-2-ylbenzaldehyde;2,2,2-trifluoroacetaldehyde;hydrate;hydrochloride
SMILESC#Cc1ccc(C=O)cc1.C#Cc1ccccc1C=O.CC(N)=C/C(C)=N/CC=O.CCCCC/C=C\CCC=O.COc1ccc(OC)c(C=O)c1.Cl.O.O=C/C=C/c1ccco1.O=CC(F)(F)F.O=CC1=CCc2ncc(Br)cc21.O=CC1=CCc2ncccc21.O=CC1CC1c1ccccc1.O=Cc1ccc(-c2ncccn2)cc1.O=Cc1ccc(C(=O)O)cc1.O=Cc1ccc(C(F)(F)F)c(F)c1F.O=Cc1ccc(OC2CCCC2)nc1.O=Cc1cccc2c1OCCO2.O=Cc1ccccc1B(O)O.O=Cc1ccccc1N1CCOCC1.O=Cc1ccn[nH]1.O=Cc1nc2ccccc2n1CF.O=Cc1nc2ccccc2o1.[H][H].[H][H]
InChIInChI=1S/C11H8N2O.2C11H13NO2.C10H10O.C10H18O.C9H6BrNO.C9H7FN2O.C9H7NO.C9H8O3.C9H10O3.2C9H6O.C8H3F5O.C8H5NO2.C8H6O3.C7H7BO3.C7H12N2O.C7H6O2.C4H4N2O.C2HF3O.ClH.H2O.2H2/c14-8-9-2-4-10(5-3-9)11-12-6-1-7-13-11;13-9-10-3-1-2-4-11(10)12-5-7-14-8-6-12;13-8-9-5-6-11(12-7-9)14-10-3-1-2-4-10;11-7-9-6-10(9)8-4-2-1-3-5-8;1-2-3-4-5-6-7-8-9-10-11;10-7-3-8-6(5-12)1-2-9(8)11-4-7;10-6-12-8-4-2-1-3-7(8)11-9(12)5-13;11-6-7-3-4-9-8(7)2-1-5-10-9;10-6-7-2-1-3-8-9(7)12-5-4-11-8;1-11-8-3-4-9(12-2)7(5-8)6-10;1-2-8-3-5-9(7-10)6-4-8;1-2-8-5-3-4-6-9(8)7-10;9-6-4(3-14)1-2-5(7(6)10)8(11,12)13;10-5-8-9-6-3-1-2-4-7(6)11-8;9-5-6-1-3-7(4-2-6)8(10)11;9-5-6-3-1-2-4-7(6)8(10)11;1-6(8)5-7(2)9-3-4-10;8-5-1-3-7-4-2-6-9-7;7-3-4-1-2-5-6-4;3-2(4,5)1-6;;;;/h1-8H;1-4,9H,5-8H2;5-8,10H,1-4H2;1-5,7,9-10H,6H2;6-7,10H,2-5,8-9H2,1H3;1,3-5H,2H2;1-5H,6H2;1-3,5-6H,4H2;1-3,6H,4-5H2;3-6H,1-2H3;2*1,3-7H;1-3H;1-5H;1-5H,(H,10,11);1-5,10-11H;4-5H,3,8H2,1-2H3;1-6H;1-3H,(H,5,6);1H;1H;1H2;2*1H/b;;;;7-6-;;;;;;;;;;;;6-5?,9-7+;3-1+;;;;;;
InChIKeyJLUGLESMWHNKBV-BCYBWHKZSA-N
MW3177.35 g/mol
LogP29.20
Rot. Bonds38

About 2-(4-aminopent-3-en-2-ylideneamino)acetaldehyde;1,3-benzoxazole-2-carbaldehyde;3-bromo-7H-cyclopenta[b]pyridine-5-carbaldehyde;7H-cyclopenta[b]pyridine-5-carbaldehyde;6-cyclopentyloxypyridine-3-carbaldehyde;(Z)-dec-4-enal;2,3-difluoro-4-(trifluoromethyl)benzaldehyde;2,3-dihydro-1,4-benzodioxine-5-carbaldehyde;2,5-dimethoxybenzaldehyde;2-ethynylbenzaldehyde;4-ethynylbenzaldehyde;1-(fluoromethyl)benzimidazole-2-carbaldehyde;4-formylbenzoic acid;(2-formylphenyl)boronic acid;(E)-3-(furan-2-yl)prop-2-enal;molecular hydrogen;2-morpholin-4-ylbenzaldehyde;2-phenylcyclopropane-1-carbaldehyde;1H-pyrazole-5-carbaldehyde;4-pyrimidin-2-ylbenzaldehyde;2,2,2-trifluoroacetaldehyde;hydrate;hydrochloride

2-(4-aminopent-3-en-2-ylideneamino)acetaldehyde;1,3-benzoxazole-2-carbaldehyde;3-bromo-7H-cyclopenta[b]pyridine-5-carbaldehyde;7H-cyclopenta[b]pyridine-5-carbaldehyde;6-cyclopentyloxypyridine-3-carbaldehyde;(Z)-dec-4-enal;2,3-difluoro-4-(trifluoromethyl)benzaldehyde;2,3-dihydro-1,4-benzodioxine-5-carbaldehyde;2,5-dimethoxybenzaldehyde;2-ethynylbenzaldehyde;4-ethynylbenzaldehyde;1-(fluoromethyl)benzimidazole-2-carbaldehyde;4-formylbenzoic acid;(2-formylphenyl)boronic acid;(E)-3-(furan-2-yl)prop-2-enal;molecular hydrogen;2-morpholin-4-ylbenzaldehyde;2-phenylcyclopropane-1-carbaldehyde;1H-pyrazole-5-carbaldehyde;4-pyrimidin-2-ylbenzaldehyde;2,2,2-trifluoroacetaldehyde;hydrate;hydrochloride (PubChem CID 160895372) has the molecular formula C167H163BBrClF9N13O33 and a molecular weight of 3177.35 g/mol. Its IUPAC name is 2-(4-aminopent-3-en-2-ylideneamino)acetaldehyde;1,3-benzoxazole-2-carbaldehyde;3-bromo-7H-cyclopenta[b]pyridine-5-carbaldehyde;7H-cyclopenta[b]pyridine-5-carbaldehyde;6-cyclopentyloxypyridine-3-carbaldehyde;(Z)-dec-4-enal;2,3-difluoro-4-(trifluoromethyl)benzaldehyde;2,3-dihydro-1,4-benzodioxine-5-carbaldehyde;2,5-dimethoxybenzaldehyde;2-ethynylbenzaldehyde;4-ethynylbenzaldehyde;1-(fluoromethyl)benzimidazole-2-carbaldehyde;4-formylbenzoic acid;(2-formylphenyl)boronic acid;(E)-3-(furan-2-yl)prop-2-enal;molecular hydrogen;2-morpholin-4-ylbenzaldehyde;2-phenylcyclopropane-1-carbaldehyde;1H-pyrazole-5-carbaldehyde;4-pyrimidin-2-ylbenzaldehyde;2,2,2-trifluoroacetaldehyde;hydrate;hydrochloride.

Molecular Properties

Compound Name2-(4-aminopent-3-en-2-ylideneamino)acetaldehyde;1,3-benzoxazole-2-carbaldehyde;3-bromo-7H-cyclopenta[b]pyridine-5-carbaldehyde;7H-cyclopenta[b]pyridine-5-carbaldehyde;6-cyclopentyloxypyridine-3-carbaldehyde;(Z)-dec-4-enal;2,3-difluoro-4-(trifluoromethyl)benzaldehyde;2,3-dihydro-1,4-benzodioxine-5-carbaldehyde;2,5-dimethoxybenzaldehyde;2-ethynylbenzaldehyde;4-ethynylbenzaldehyde;1-(fluoromethyl)benzimidazole-2-carbaldehyde;4-formylbenzoic acid;(2-formylphenyl)boronic acid;(E)-3-(furan-2-yl)prop-2-enal;molecular hydrogen;2-morpholin-4-ylbenzaldehyde;2-phenylcyclopropane-1-carbaldehyde;1H-pyrazole-5-carbaldehyde;4-pyrimidin-2-ylbenzaldehyde;2,2,2-trifluoroacetaldehyde;hydrate;hydrochloride
PubChem CID160895372
Molecular FormulaC167H163BBrClF9N13O33
Molecular Weight3177.35 g/mol
Exact Mass3174.03
IUPAC Name2-(4-aminopent-3-en-2-ylideneamino)acetaldehyde;1,3-benzoxazole-2-carbaldehyde;3-bromo-7H-cyclopenta[b]pyridine-5-carbaldehyde;7H-cyclopenta[b]pyridine-5-carbaldehyde;6-cyclopentyloxypyridine-3-carbaldehyde;(Z)-dec-4-enal;2,3-difluoro-4-(trifluoromethyl)benzaldehyde;2,3-dihydro-1,4-benzodioxine-5-carbaldehyde;2,5-dimethoxybenzaldehyde;2-ethynylbenzaldehyde;4-ethynylbenzaldehyde;1-(fluoromethyl)benzimidazole-2-carbaldehyde;4-formylbenzoic acid;(2-formylphenyl)boronic acid;(E)-3-(furan-2-yl)prop-2-enal;molecular hydrogen;2-morpholin-4-ylbenzaldehyde;2-phenylcyclopropane-1-carbaldehyde;1H-pyrazole-5-carbaldehyde;4-pyrimidin-2-ylbenzaldehyde;2,2,2-trifluoroacetaldehyde;hydrate;hydrochloride
SMILESC#Cc1ccc(C=O)cc1.C#Cc1ccccc1C=O.CC(N)=C/C(C)=N/CC=O.CCCCC/C=C\CCC=O.COc1ccc(OC)c(C=O)c1.Cl.O.O=C/C=C/c1ccco1.O=CC(F)(F)F.O=CC1=CCc2ncc(Br)cc21.O=CC1=CCc2ncccc21.O=CC1CC1c1ccccc1.O=Cc1ccc(-c2ncccn2)cc1.O=Cc1ccc(C(=O)O)cc1.O=Cc1ccc(C(F)(F)F)c(F)c1F.O=Cc1ccc(OC2CCCC2)nc1.O=Cc1cccc2c1OCCO2.O=Cc1ccccc1B(O)O.O=Cc1ccccc1N1CCOCC1.O=Cc1ccn[nH]1.O=Cc1nc2ccccc2n1CF.O=Cc1nc2ccccc2o1.[H][H].[H][H]
InChIInChI=1S/C11H8N2O.2C11H13NO2.C10H10O.C10H18O.C9H6BrNO.C9H7FN2O.C9H7NO.C9H8O3.C9H10O3.2C9H6O.C8H3F5O.C8H5NO2.C8H6O3.C7H7BO3.C7H12N2O.C7H6O2.C4H4N2O.C2HF3O.ClH.H2O.2H2/c14-8-9-2-4-10(5-3-9)11-12-6-1-7-13-11;13-9-10-3-1-2-4-11(10)12-5-7-14-8-6-12;13-8-9-5-6-11(12-7-9)14-10-3-1-2-4-10;11-7-9-6-10(9)8-4-2-1-3-5-8;1-2-3-4-5-6-7-8-9-10-11;10-7-3-8-6(5-12)1-2-9(8)11-4-7;10-6-12-8-4-2-1-3-7(8)11-9(12)5-13;11-6-7-3-4-9-8(7)2-1-5-10-9;10-6-7-2-1-3-8-9(7)12-5-4-11-8;1-11-8-3-4-9(12-2)7(5-8)6-10;1-2-8-3-5-9(7-10)6-4-8;1-2-8-5-3-4-6-9(8)7-10;9-6-4(3-14)1-2-5(7(6)10)8(11,12)13;10-5-8-9-6-3-1-2-4-7(6)11-8;9-5-6-1-3-7(4-2-6)8(10)11;9-5-6-3-1-2-4-7(6)8(10)11;1-6(8)5-7(2)9-3-4-10;8-5-1-3-7-4-2-6-9-7;7-3-4-1-2-5-6-4;3-2(4,5)1-6;;;;/h1-8H;1-4,9H,5-8H2;5-8,10H,1-4H2;1-5,7,9-10H,6H2;6-7,10H,2-5,8-9H2,1H3;1,3-5H,2H2;1-5H,6H2;1-3,5-6H,4H2;1-3,6H,4-5H2;3-6H,1-2H3;2*1,3-7H;1-3H;1-5H;1-5H,(H,10,11);1-5,10-11H;4-5H,3,8H2,1-2H3;1-6H;1-3H,(H,5,6);1H;1H;1H2;2*1H/b;;;;7-6-;;;;;;;;;;;;6-5?,9-7+;3-1+;;;;;;
InChIKeyJLUGLESMWHNKBV-BCYBWHKZSA-N
XLogP29.20
TPSA697.78 Ų
H-Bond Donors5
H-Bond Acceptors43
Rotatable Bonds38
Heavy Atoms225
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003177.35
LogP ≤ 529.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(4-aminopent-3-en-2-ylideneamino)acetaldehyde;1,3-benzoxazole-2-carbaldehyde;3-bromo-7H-cyclopenta[b]pyridine-5-carbaldehyde;7H-cyclopenta[b]pyridine-5-carbaldehyde;6-cyclopentyloxypyridine-3-carbaldehyde;(Z)-dec-4-enal;2,3-difluoro-4-(trifluoromethyl)benzaldehyde;2,3-dihydro-1,4-benzodioxine-5-carbaldehyde;2,5-dimethoxybenzaldehyde;2-ethynylbenzaldehyde;4-ethynylbenzaldehyde;1-(fluoromethyl)benzimidazole-2-carbaldehyde;4-formylbenzoic acid;(2-formylphenyl)boronic acid;(E)-3-(furan-2-yl)prop-2-enal;molecular hydrogen;2-morpholin-4-ylbenzaldehyde;2-phenylcyclopropane-1-carbaldehyde;1H-pyrazole-5-carbaldehyde;4-pyrimidin-2-ylbenzaldehyde;2,2,2-trifluoroacetaldehyde;hydrate;hydrochloride with MolForge

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Related Compounds

2-cyclopentyloxy-5-propan-2-ylpyridine;1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-(3-methylbutyl)furan;(Z)-2-methylundec-5-ene;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;(2-propan-2-ylphenyl)boronic acid;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;5-propan-2-ylpyrimidine;1,1,1-trifluoro-2-methylpropane
CID 157365846
3-bromo-5-propan-2-yl-7H-cyclopenta[b]pyridine;2-cyclopentyloxy-5-propan-2-ylpyridine;1-(3,4-dichlorophenyl)-3-(2-methoxy-4-propan-2-ylphenoxy)propan-2-one;2,3-difluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-[(E)-3-methylbut-1-enyl]furan;(Z)-2-methylundec-5-ene;7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;1,1,1-trifluoro-2-methylpropane
CID 158500553
1,4-dimethoxy-2-propan-2-ylbenzene;3,5-dimethyl-1-(2-methylpropyl)pyrazole;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1-(fluoromethyl)-2-propan-2-ylbenzimidazole;2-[(E)-3-methylbut-1-enyl]furan;(Z)-2-methylundec-5-ene;4-propan-2-ylbenzoic acid;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-7H-cyclopenta[b]pyridine;(2-propan-2-ylcyclopropyl)benzene;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;(2-propan-2-ylphenyl)boronic acid;4-(2-propan-2-ylphenyl)morpholine;2-(4-propan-2-ylphenyl)pyrimidine;5-propan-2-yl-1H-pyrazole;5-propan-2-ylpyrimidine;1,1,1-trifluoro-2-methylpropane
CID 158730412

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopent-3-en-2-ylideneamino)acetaldehyde;1,3-benzoxazole-2-carbaldehyde;3-bromo-7H-cyclopenta[b]pyridine-5-carbaldehyde;7H-cyclopenta[b]pyridine-5-carbaldehyde;6-cyclopentyloxypyridine-3-carbaldehyde;(Z)-dec-4-enal;2,3-difluoro-4-(trifluoromethyl)benzaldehyde;2,3-dihydro-1,4-benzodioxine-5-carbaldehyde;2,5-dimethoxybenzaldehyde;2-ethynylbenzaldehyde;4-ethynylbenzaldehyde;1-(fluoromethyl)benzimidazole-2-carbaldehyde;4-formylbenzoic acid;(2-formylphenyl)boronic acid;(E)-3-(furan-2-yl)prop-2-enal;molecular hydrogen;2-morpholin-4-ylbenzaldehyde;2-phenylcyclopropane-1-carbaldehyde;1H-pyrazole-5-carbaldehyde;4-pyrimidin-2-ylbenzaldehyde;2,2,2-trifluoroacetaldehyde;hydrate;hydrochloride?
The IUPAC name of 2-(4-aminopent-3-en-2-ylideneamino)acetaldehyde;1,3-benzoxazole-2-carbaldehyde;3-bromo-7H-cyclopenta[b]pyridine-5-carbaldehyde;7H-cyclopenta[b]pyridine-5-carbaldehyde;6-cyclopentyloxypyridine-3-carbaldehyde;(Z)-dec-4-enal;2,3-difluoro-4-(trifluoromethyl)benzaldehyde;2,3-dihydro-1,4-benzodioxine-5-carbaldehyde;2,5-dimethoxybenzaldehyde;2-ethynylbenzaldehyde;4-ethynylbenzaldehyde;1-(fluoromethyl)benzimidazole-2-carbaldehyde;4-formylbenzoic acid;(2-formylphenyl)boronic acid;(E)-3-(furan-2-yl)prop-2-enal;molecular hydrogen;2-morpholin-4-ylbenzaldehyde;2-phenylcyclopropane-1-carbaldehyde;1H-pyrazole-5-carbaldehyde;4-pyrimidin-2-ylbenzaldehyde;2,2,2-trifluoroacetaldehyde;hydrate;hydrochloride (CID 160895372) is 2-(4-aminopent-3-en-2-ylideneamino)acetaldehyde;1,3-benzoxazole-2-carbaldehyde;3-bromo-7H-cyclopenta[b]pyridine-5-carbaldehyde;7H-cyclopenta[b]pyridine-5-carbaldehyde;6-cyclopentyloxypyridine-3-carbaldehyde;(Z)-dec-4-enal;2,3-difluoro-4-(trifluoromethyl)benzaldehyde;2,3-dihydro-1,4-benzodioxine-5-carbaldehyde;2,5-dimethoxybenzaldehyde;2-ethynylbenzaldehyde;4-ethynylbenzaldehyde;1-(fluoromethyl)benzimidazole-2-carbaldehyde;4-formylbenzoic acid;(2-formylphenyl)boronic acid;(E)-3-(furan-2-yl)prop-2-enal;molecular hydrogen;2-morpholin-4-ylbenzaldehyde;2-phenylcyclopropane-1-carbaldehyde;1H-pyrazole-5-carbaldehyde;4-pyrimidin-2-ylbenzaldehyde;2,2,2-trifluoroacetaldehyde;hydrate;hydrochloride.
What is the SMILES notation for 2-(4-aminopent-3-en-2-ylideneamino)acetaldehyde;1,3-benzoxazole-2-carbaldehyde;3-bromo-7H-cyclopenta[b]pyridine-5-carbaldehyde;7H-cyclopenta[b]pyridine-5-carbaldehyde;6-cyclopentyloxypyridine-3-carbaldehyde;(Z)-dec-4-enal;2,3-difluoro-4-(trifluoromethyl)benzaldehyde;2,3-dihydro-1,4-benzodioxine-5-carbaldehyde;2,5-dimethoxybenzaldehyde;2-ethynylbenzaldehyde;4-ethynylbenzaldehyde;1-(fluoromethyl)benzimidazole-2-carbaldehyde;4-formylbenzoic acid;(2-formylphenyl)boronic acid;(E)-3-(furan-2-yl)prop-2-enal;molecular hydrogen;2-morpholin-4-ylbenzaldehyde;2-phenylcyclopropane-1-carbaldehyde;1H-pyrazole-5-carbaldehyde;4-pyrimidin-2-ylbenzaldehyde;2,2,2-trifluoroacetaldehyde;hydrate;hydrochloride?
The canonical SMILES for 2-(4-aminopent-3-en-2-ylideneamino)acetaldehyde;1,3-benzoxazole-2-carbaldehyde;3-bromo-7H-cyclopenta[b]pyridine-5-carbaldehyde;7H-cyclopenta[b]pyridine-5-carbaldehyde;6-cyclopentyloxypyridine-3-carbaldehyde;(Z)-dec-4-enal;2,3-difluoro-4-(trifluoromethyl)benzaldehyde;2,3-dihydro-1,4-benzodioxine-5-carbaldehyde;2,5-dimethoxybenzaldehyde;2-ethynylbenzaldehyde;4-ethynylbenzaldehyde;1-(fluoromethyl)benzimidazole-2-carbaldehyde;4-formylbenzoic acid;(2-formylphenyl)boronic acid;(E)-3-(furan-2-yl)prop-2-enal;molecular hydrogen;2-morpholin-4-ylbenzaldehyde;2-phenylcyclopropane-1-carbaldehyde;1H-pyrazole-5-carbaldehyde;4-pyrimidin-2-ylbenzaldehyde;2,2,2-trifluoroacetaldehyde;hydrate;hydrochloride is C#Cc1ccc(C=O)cc1.C#Cc1ccccc1C=O.CC(N)=C/C(C)=N/CC=O.CCCCC/C=C\CCC=O.COc1ccc(OC)c(C=O)c1.Cl.O.O=C/C=C/c1ccco1.O=CC(F)(F)F.O=CC1=CCc2ncc(Br)cc21.O=CC1=CCc2ncccc21.O=CC1CC1c1ccccc1.O=Cc1ccc(-c2ncccn2)cc1.O=Cc1ccc(C(=O)O)cc1.O=Cc1ccc(C(F)(F)F)c(F)c1F.O=Cc1ccc(OC2CCCC2)nc1.O=Cc1cccc2c1OCCO2.O=Cc1ccccc1B(O)O.O=Cc1ccccc1N1CCOCC1.O=Cc1ccn[nH]1.O=Cc1nc2ccccc2n1CF.O=Cc1nc2ccccc2o1.[H][H].[H][H].
What is the InChIKey of 2-(4-aminopent-3-en-2-ylideneamino)acetaldehyde;1,3-benzoxazole-2-carbaldehyde;3-bromo-7H-cyclopenta[b]pyridine-5-carbaldehyde;7H-cyclopenta[b]pyridine-5-carbaldehyde;6-cyclopentyloxypyridine-3-carbaldehyde;(Z)-dec-4-enal;2,3-difluoro-4-(trifluoromethyl)benzaldehyde;2,3-dihydro-1,4-benzodioxine-5-carbaldehyde;2,5-dimethoxybenzaldehyde;2-ethynylbenzaldehyde;4-ethynylbenzaldehyde;1-(fluoromethyl)benzimidazole-2-carbaldehyde;4-formylbenzoic acid;(2-formylphenyl)boronic acid;(E)-3-(furan-2-yl)prop-2-enal;molecular hydrogen;2-morpholin-4-ylbenzaldehyde;2-phenylcyclopropane-1-carbaldehyde;1H-pyrazole-5-carbaldehyde;4-pyrimidin-2-ylbenzaldehyde;2,2,2-trifluoroacetaldehyde;hydrate;hydrochloride?
The InChIKey is JLUGLESMWHNKBV-BCYBWHKZSA-N. The full InChI is InChI=1S/C11H8N2O.2C11H13NO2.C10H10O.C10H18O.C9H6BrNO.C9H7FN2O.C9H7NO.C9H8O3.C9H10O3.2C9H6O.C8H3F5O.C8H5NO2.C8H6O3.C7H7BO3.C7H12N2O.C7H6O2.C4H4N2O.C2HF3O.ClH.H2O.2H2/c14-8-9-2-4-10(5-3-9)11-12-6-1-7-13-11;13-9-10-3-1-2-4-11(10)12-5-7-14-8-6-12;13-8-9-5-6-11(12-7-9)14-10-3-1-2-4-10;11-7-9-6-10(9)8-4-2-1-3-5-8;1-2-3-4-5-6-7-8-9-10-11;10-7-3-8-6(5-12)1-2-9(8)11-4-7;10-6-12-8-4-2-1-3-7(8)11-9(12)5-13;11-6-7-3-4-9-8(7)2-1-5-10-9;10-6-7-2-1-3-8-9(7)12-5-4-11-8;1-11-8-3-4-9(12-2)7(5-8)6-10;1-2-8-3-5-9(7-10)6-4-8;1-2-8-5-3-4-6-9(8)7-10;9-6-4(3-14)1-2-5(7(6)10)8(11,12)13;10-5-8-9-6-3-1-2-4-7(6)11-8;9-5-6-1-3-7(4-2-6)8(10)11;9-5-6-3-1-2-4-7(6)8(10)11;1-6(8)5-7(2)9-3-4-10;8-5-1-3-7-4-2-6-9-7;7-3-4-1-2-5-6-4;3-2(4,5)1-6;;;;/h1-8H;1-4,9H,5-8H2;5-8,10H,1-4H2;1-5,7,9-10H,6H2;6-7,10H,2-5,8-9H2,1H3;1,3-5H,2H2;1-5H,6H2;1-3,5-6H,4H2;1-3,6H,4-5H2;3-6H,1-2H3;2*1,3-7H;1-3H;1-5H;1-5H,(H,10,11);1-5,10-11H;4-5H,3,8H2,1-2H3;1-6H;1-3H,(H,5,6);1H;1H;1H2;2*1H/b;;;;7-6-;;;;;;;;;;;;6-5?,9-7+;3-1+;;;;;;.
What are the key properties of 2-(4-aminopent-3-en-2-ylideneamino)acetaldehyde;1,3-benzoxazole-2-carbaldehyde;3-bromo-7H-cyclopenta[b]pyridine-5-carbaldehyde;7H-cyclopenta[b]pyridine-5-carbaldehyde;6-cyclopentyloxypyridine-3-carbaldehyde;(Z)-dec-4-enal;2,3-difluoro-4-(trifluoromethyl)benzaldehyde;2,3-dihydro-1,4-benzodioxine-5-carbaldehyde;2,5-dimethoxybenzaldehyde;2-ethynylbenzaldehyde;4-ethynylbenzaldehyde;1-(fluoromethyl)benzimidazole-2-carbaldehyde;4-formylbenzoic acid;(2-formylphenyl)boronic acid;(E)-3-(furan-2-yl)prop-2-enal;molecular hydrogen;2-morpholin-4-ylbenzaldehyde;2-phenylcyclopropane-1-carbaldehyde;1H-pyrazole-5-carbaldehyde;4-pyrimidin-2-ylbenzaldehyde;2,2,2-trifluoroacetaldehyde;hydrate;hydrochloride?
2-(4-aminopent-3-en-2-ylideneamino)acetaldehyde;1,3-benzoxazole-2-carbaldehyde;3-bromo-7H-cyclopenta[b]pyridine-5-carbaldehyde;7H-cyclopenta[b]pyridine-5-carbaldehyde;6-cyclopentyloxypyridine-3-carbaldehyde;(Z)-dec-4-enal;2,3-difluoro-4-(trifluoromethyl)benzaldehyde;2,3-dihydro-1,4-benzodioxine-5-carbaldehyde;2,5-dimethoxybenzaldehyde;2-ethynylbenzaldehyde;4-ethynylbenzaldehyde;1-(fluoromethyl)benzimidazole-2-carbaldehyde;4-formylbenzoic acid;(2-formylphenyl)boronic acid;(E)-3-(furan-2-yl)prop-2-enal;molecular hydrogen;2-morpholin-4-ylbenzaldehyde;2-phenylcyclopropane-1-carbaldehyde;1H-pyrazole-5-carbaldehyde;4-pyrimidin-2-ylbenzaldehyde;2,2,2-trifluoroacetaldehyde;hydrate;hydrochloride has a molecular weight of 3177.35 g/mol, XLogP of 29.20, 38 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopent-3-en-2-ylideneamino)acetaldehyde;1,3-benzoxazole-2-carbaldehyde;3-bromo-7H-cyclopenta[b]pyridine-5-carbaldehyde;7H-cyclopenta[b]pyridine-5-carbaldehyde;6-cyclopentyloxypyridine-3-carbaldehyde;(Z)-dec-4-enal;2,3-difluoro-4-(trifluoromethyl)benzaldehyde;2,3-dihydro-1,4-benzodioxine-5-carbaldehyde;2,5-dimethoxybenzaldehyde;2-ethynylbenzaldehyde;4-ethynylbenzaldehyde;1-(fluoromethyl)benzimidazole-2-carbaldehyde;4-formylbenzoic acid;(2-formylphenyl)boronic acid;(E)-3-(furan-2-yl)prop-2-enal;molecular hydrogen;2-morpholin-4-ylbenzaldehyde;2-phenylcyclopropane-1-carbaldehyde;1H-pyrazole-5-carbaldehyde;4-pyrimidin-2-ylbenzaldehyde;2,2,2-trifluoroacetaldehyde;hydrate;hydrochloride is sourced from PubChem (CID 160895372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).