dimethyl (4Z)-3-ethenyl-4-[1-(4-nitrophenyl)ethylidene]cyclopentane-1,1-dicarboxylate

C19H21NO6 — CID 102214144

IUPACdimethyl (4Z)-3-ethenyl-4-[1-(4-nitrophenyl)ethylidene]cyclopentane-1,1-dicarboxylate
SMILESC=CC1CC(C(=O)OC)(C(=O)OC)C/C1=C(\C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H21NO6/c1-5-13-10-19(17(21)25-3,18(22)26-4)11-16(13)12(2)14-6-8-15(9-7-14)20(23)24/h5-9,13H,1,10-11H2,2-4H3/b16-12-
InChIKeyOQBLKJGYWINHQD-VBKFSLOCSA-N
MW359.38 g/mol
LogP3.30
Rot. Bonds5

About dimethyl (4Z)-3-ethenyl-4-[1-(4-nitrophenyl)ethylidene]cyclopentane-1,1-dicarboxylate

dimethyl (4Z)-3-ethenyl-4-[1-(4-nitrophenyl)ethylidene]cyclopentane-1,1-dicarboxylate (PubChem CID 102214144) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is dimethyl (4Z)-3-ethenyl-4-[1-(4-nitrophenyl)ethylidene]cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (4Z)-3-ethenyl-4-[1-(4-nitrophenyl)ethylidene]cyclopentane-1,1-dicarboxylate
PubChem CID102214144
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Namedimethyl (4Z)-3-ethenyl-4-[1-(4-nitrophenyl)ethylidene]cyclopentane-1,1-dicarboxylate
SMILESC=CC1CC(C(=O)OC)(C(=O)OC)C/C1=C(\C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H21NO6/c1-5-13-10-19(17(21)25-3,18(22)26-4)11-16(13)12(2)14-6-8-15(9-7-14)20(23)24/h5-9,13H,1,10-11H2,2-4H3/b16-12-
InChIKeyOQBLKJGYWINHQD-VBKFSLOCSA-N
XLogP3.30
TPSA95.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze dimethyl (4Z)-3-ethenyl-4-[1-(4-nitrophenyl)ethylidene]cyclopentane-1,1-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl (3Z)-3-(1-acetyloxyethylidene)-4-ethenylcyclopentane-1,1-dicarboxylate
CID 102208222
dimethyl (4E)-3-ethenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 11120024
dimethyl (3aR)-4,4-dimethyl-6-nitro-3,3a-dihydro-1H-cyclopenta[b]naphthalene-2,2-dicarboxylate
CID 139114132
methyl 1-[[2-(4-nitrophenyl)-2-oxoethyl]carbamoyl]cyclohexane-1-carboxylate
CID 142715407
[(3S,5S)-5-[[(2S)-2-ethenyl-1-methoxycarbonylcyclopropyl]carbamoyl]pyrrolidin-3-yl] 4-nitrobenzoate
CID 70339706
methyl (1R,2S,3S,4R)-1-cyano-4-ethenyl-3-formyl-2-(4-nitrophenyl)cyclopentane-1-carboxylate
CID 134846251
prop-2-enyl 2-(4-nitrophenyl)-2-oxoacetate
CID 15093892
1-ethenyl-4-nitrobenzene;1-(4-nitrophenyl)ethanone
CID 88505164
methyl 4-(4-nitrobenzoyl)benzoate
CID 596153
1-(4-nitrophenyl)but-3-en-1-one
CID 11735654
N-[1-(4-nitrophenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925773
methyl 1-(methylamino)-3-(4-nitrophenyl)sulfanylcyclopentane-1-carboxylate
CID 79644953

Frequently Asked Questions

What is the IUPAC name of dimethyl (4Z)-3-ethenyl-4-[1-(4-nitrophenyl)ethylidene]cyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl (4Z)-3-ethenyl-4-[1-(4-nitrophenyl)ethylidene]cyclopentane-1,1-dicarboxylate (CID 102214144) is dimethyl (4Z)-3-ethenyl-4-[1-(4-nitrophenyl)ethylidene]cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (4Z)-3-ethenyl-4-[1-(4-nitrophenyl)ethylidene]cyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (4Z)-3-ethenyl-4-[1-(4-nitrophenyl)ethylidene]cyclopentane-1,1-dicarboxylate is C=CC1CC(C(=O)OC)(C(=O)OC)C/C1=C(\C)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of dimethyl (4Z)-3-ethenyl-4-[1-(4-nitrophenyl)ethylidene]cyclopentane-1,1-dicarboxylate?
The InChIKey is OQBLKJGYWINHQD-VBKFSLOCSA-N. The full InChI is InChI=1S/C19H21NO6/c1-5-13-10-19(17(21)25-3,18(22)26-4)11-16(13)12(2)14-6-8-15(9-7-14)20(23)24/h5-9,13H,1,10-11H2,2-4H3/b16-12-.
What are the key properties of dimethyl (4Z)-3-ethenyl-4-[1-(4-nitrophenyl)ethylidene]cyclopentane-1,1-dicarboxylate?
dimethyl (4Z)-3-ethenyl-4-[1-(4-nitrophenyl)ethylidene]cyclopentane-1,1-dicarboxylate has a molecular weight of 359.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (4Z)-3-ethenyl-4-[1-(4-nitrophenyl)ethylidene]cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 102214144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).