zinc;2-methylprop-2-enoate;2-nitronaphthalene-1-carboxylate

C15H11NO6Zn — CID 22987460

IUPACzinc;2-methylprop-2-enoate;2-nitronaphthalene-1-carboxylate
SMILESC=C(C)C(=O)[O-].O=C([O-])c1c([N+](=O)[O-])ccc2ccccc12.[Zn+2]
InChIInChI=1S/C11H7NO4.C4H6O2.Zn/c13-11(14)10-8-4-2-1-3-7(8)5-6-9(10)12(15)16;1-3(2)4(5)6;/h1-6H,(H,13,14);1H2,2H3,(H,5,6);/q;;+2/p-2
InChIKeyGXVKJKLXRSGSDH-UHFFFAOYSA-L
MW366.64 g/mol
LogP0.42
Rot. Bonds3

About zinc;2-methylprop-2-enoate;2-nitronaphthalene-1-carboxylate

zinc;2-methylprop-2-enoate;2-nitronaphthalene-1-carboxylate (PubChem CID 22987460) has the molecular formula C15H11NO6Zn and a molecular weight of 366.64 g/mol. Its IUPAC name is zinc;2-methylprop-2-enoate;2-nitronaphthalene-1-carboxylate.

Molecular Properties

Compound Namezinc;2-methylprop-2-enoate;2-nitronaphthalene-1-carboxylate
PubChem CID22987460
Molecular FormulaC15H11NO6Zn
Molecular Weight366.64 g/mol
Exact Mass364.99
IUPAC Namezinc;2-methylprop-2-enoate;2-nitronaphthalene-1-carboxylate
SMILESC=C(C)C(=O)[O-].O=C([O-])c1c([N+](=O)[O-])ccc2ccccc12.[Zn+2]
InChIInChI=1S/C11H7NO4.C4H6O2.Zn/c13-11(14)10-8-4-2-1-3-7(8)5-6-9(10)12(15)16;1-3(2)4(5)6;/h1-6H,(H,13,14);1H2,2H3,(H,5,6);/q;;+2/p-2
InChIKeyGXVKJKLXRSGSDH-UHFFFAOYSA-L
XLogP0.42
TPSA123.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.64
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-nitronaphthalene-1-carbonyl) 2-nitronaphthalene-1-carboxylate
CID 87755782
magnesium;2-methylprop-2-enoate;naphthalene-1-carboxylate
CID 22987477
2-nitro-1-(2-nitronaphthalen-1-yl)sulfanylnaphthalene
CID 172732341
O-(2-nitronaphthalen-1-yl) ethanethioate
CID 57090409
2-methyl-3-(2-nitronaphthalen-1-yl)prop-2-enoic acid
CID 70217012
1-methoxy-2-nitronaphthalene
CID 10899709
bis(iron(3+));tris(naphthalene-1,2-dicarboxylate)
CID 67068173
1-ethoxy-2-nitronaphthalene
CID 15811705
1-(1-nitronaphthalen-2-yl)ethanone
CID 167328369
potassium 2-amino-6-nitrobenzoate
CID 71764475
2-nitro-N-quinolin-8-ylnaphthalene-1-carboxamide
CID 134950470
1-nitronaphthalene;hydrate
CID 174470741

Frequently Asked Questions

What is the IUPAC name of zinc;2-methylprop-2-enoate;2-nitronaphthalene-1-carboxylate?
The IUPAC name of zinc;2-methylprop-2-enoate;2-nitronaphthalene-1-carboxylate (CID 22987460) is zinc;2-methylprop-2-enoate;2-nitronaphthalene-1-carboxylate.
What is the SMILES notation for zinc;2-methylprop-2-enoate;2-nitronaphthalene-1-carboxylate?
The canonical SMILES for zinc;2-methylprop-2-enoate;2-nitronaphthalene-1-carboxylate is C=C(C)C(=O)[O-].O=C([O-])c1c([N+](=O)[O-])ccc2ccccc12.[Zn+2].
What is the InChIKey of zinc;2-methylprop-2-enoate;2-nitronaphthalene-1-carboxylate?
The InChIKey is GXVKJKLXRSGSDH-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H7NO4.C4H6O2.Zn/c13-11(14)10-8-4-2-1-3-7(8)5-6-9(10)12(15)16;1-3(2)4(5)6;/h1-6H,(H,13,14);1H2,2H3,(H,5,6);/q;;+2/p-2.
What are the key properties of zinc;2-methylprop-2-enoate;2-nitronaphthalene-1-carboxylate?
zinc;2-methylprop-2-enoate;2-nitronaphthalene-1-carboxylate has a molecular weight of 366.64 g/mol, XLogP of 0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;2-methylprop-2-enoate;2-nitronaphthalene-1-carboxylate is sourced from PubChem (CID 22987460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).