methyl (Z)-2-(2-fluoren-9-ylidenehydrazinyl)-4-(furan-2-yl)-4-oxobut-2-enoate

C22H16N2O4 — CID 20614051

IUPACmethyl (Z)-2-(2-fluoren-9-ylidenehydrazinyl)-4-(furan-2-yl)-4-oxobut-2-enoate
SMILESCOC(=O)/C(=C/C(=O)c1ccco1)NN=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H16N2O4/c1-27-22(26)18(13-19(25)20-11-6-12-28-20)23-24-21-16-9-4-2-7-14(16)15-8-3-5-10-17(15)21/h2-13,23H,1H3/b18-13-
InChIKeyQYXDOVHVJYLFPE-AQTBWJFISA-N
MW372.38 g/mol
LogP3.54
Rot. Bonds5

About methyl (Z)-2-(2-fluoren-9-ylidenehydrazinyl)-4-(furan-2-yl)-4-oxobut-2-enoate

methyl (Z)-2-(2-fluoren-9-ylidenehydrazinyl)-4-(furan-2-yl)-4-oxobut-2-enoate (PubChem CID 20614051) has the molecular formula C22H16N2O4 and a molecular weight of 372.38 g/mol. Its IUPAC name is methyl (Z)-2-(2-fluoren-9-ylidenehydrazinyl)-4-(furan-2-yl)-4-oxobut-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-(2-fluoren-9-ylidenehydrazinyl)-4-(furan-2-yl)-4-oxobut-2-enoate
PubChem CID20614051
Molecular FormulaC22H16N2O4
Molecular Weight372.38 g/mol
Exact Mass372.11
IUPAC Namemethyl (Z)-2-(2-fluoren-9-ylidenehydrazinyl)-4-(furan-2-yl)-4-oxobut-2-enoate
SMILESCOC(=O)/C(=C/C(=O)c1ccco1)NN=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H16N2O4/c1-27-22(26)18(13-19(25)20-11-6-12-28-20)23-24-21-16-9-4-2-7-14(16)15-8-3-5-10-17(15)21/h2-13,23H,1H3/b18-13-
InChIKeyQYXDOVHVJYLFPE-AQTBWJFISA-N
XLogP3.54
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(3,5-dimethoxyphenyl)-2-(2-fluoren-9-ylidenehydrazinyl)-4-oxobut-2-enoate
CID 72638050
methyl 4-(4-ethoxyphenyl)-2-(2-fluoren-9-ylidenehydrazinyl)-4-oxobut-2-enoate
CID 72511443
methyl (Z)-2-(furan-2-carbonylamino)but-2-enoate
CID 102388440
dimethyl (Z)-2-[[(E)-1-(furan-2-yl)ethylideneamino]carbamothioylamino]but-2-enedioate
CID 139214765
methyl (2Z)-2-(furan-2-yl)-2-hydroxyiminoacetate
CID 87793315
N-(fluoren-9-ylideneamino)-2-methylfuran-3-carboxamide
CID 801146
(E)-4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoic acid
CID 68590353
4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoic acid
CID 40637844
(Z)-4-(furan-2-yl)-3-methoxycarbonyl-4-phenylbut-3-enoic acid
CID 118073284
methyl (Z)-2-(furan-2-carbonylamino)-3-(4-methoxyphenyl)prop-2-enoate
CID 2180781
1,1'-biphenyl;methyl furan-2-carboxylate
CID 159970386
(2R)-2-(18F)fluoro-1-(furan-2-yl)-2-methoxyethanone
CID 162417007

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-(2-fluoren-9-ylidenehydrazinyl)-4-(furan-2-yl)-4-oxobut-2-enoate?
The IUPAC name of methyl (Z)-2-(2-fluoren-9-ylidenehydrazinyl)-4-(furan-2-yl)-4-oxobut-2-enoate (CID 20614051) is methyl (Z)-2-(2-fluoren-9-ylidenehydrazinyl)-4-(furan-2-yl)-4-oxobut-2-enoate.
What is the SMILES notation for methyl (Z)-2-(2-fluoren-9-ylidenehydrazinyl)-4-(furan-2-yl)-4-oxobut-2-enoate?
The canonical SMILES for methyl (Z)-2-(2-fluoren-9-ylidenehydrazinyl)-4-(furan-2-yl)-4-oxobut-2-enoate is COC(=O)/C(=C/C(=O)c1ccco1)NN=C1c2ccccc2-c2ccccc21.
What is the InChIKey of methyl (Z)-2-(2-fluoren-9-ylidenehydrazinyl)-4-(furan-2-yl)-4-oxobut-2-enoate?
The InChIKey is QYXDOVHVJYLFPE-AQTBWJFISA-N. The full InChI is InChI=1S/C22H16N2O4/c1-27-22(26)18(13-19(25)20-11-6-12-28-20)23-24-21-16-9-4-2-7-14(16)15-8-3-5-10-17(15)21/h2-13,23H,1H3/b18-13-.
What are the key properties of methyl (Z)-2-(2-fluoren-9-ylidenehydrazinyl)-4-(furan-2-yl)-4-oxobut-2-enoate?
methyl (Z)-2-(2-fluoren-9-ylidenehydrazinyl)-4-(furan-2-yl)-4-oxobut-2-enoate has a molecular weight of 372.38 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-(2-fluoren-9-ylidenehydrazinyl)-4-(furan-2-yl)-4-oxobut-2-enoate is sourced from PubChem (CID 20614051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).