copper;2-azanidylethylazanide;bis(prop-2-enoate)

C8H12CuN2O4-2 — CID 131844736

IUPACcopper;2-azanidylethylazanide;bis(prop-2-enoate)
SMILESC=CC(=O)[O-].C=CC(=O)[O-].[Cu+2].[NH-]CC[NH-]
InChIInChI=1S/2C3H4O2.C2H6N2.Cu/c2*1-2-3(4)5;3-1-2-4;/h2*2H,1H2,(H,4,5);3-4H,1-2H2;/q;;-2;+2/p-2
InChIKeyBDHJJJDARBUDDK-UHFFFAOYSA-L
MW263.74 g/mol
LogP-1.07
Rot. Bonds3

About copper;2-azanidylethylazanide;bis(prop-2-enoate)

copper;2-azanidylethylazanide;bis(prop-2-enoate) (PubChem CID 131844736) has the molecular formula C8H12CuN2O4-2 and a molecular weight of 263.74 g/mol. Its IUPAC name is copper;2-azanidylethylazanide;bis(prop-2-enoate).

Molecular Properties

Compound Namecopper;2-azanidylethylazanide;bis(prop-2-enoate)
PubChem CID131844736
Molecular FormulaC8H12CuN2O4-2
Molecular Weight263.74 g/mol
Exact Mass263.01
IUPAC Namecopper;2-azanidylethylazanide;bis(prop-2-enoate)
SMILESC=CC(=O)[O-].C=CC(=O)[O-].[Cu+2].[NH-]CC[NH-]
InChIInChI=1S/2C3H4O2.C2H6N2.Cu/c2*1-2-3(4)5;3-1-2-4;/h2*2H,1H2,(H,4,5);3-4H,1-2H2;/q;;-2;+2/p-2
InChIKeyBDHJJJDARBUDDK-UHFFFAOYSA-L
XLogP-1.07
TPSA127.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.74
LogP ≤ 5-1.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

prop-2-enoate;tin(4+)
CID 22321076
europium(2+);bis(prop-2-enoate)
CID 19816716
cobalt(2+);prop-2-enoate
CID 22476955
barium(2+);lead(2+);tetrakis(prop-2-enoate)
CID 159431498
aluminum;bis(prop-2-enoate);chloride
CID 175698276
lithium;cobalt(2+);hydride;bis(prop-2-enoate)
CID 173125641
lithium;prop-2-enoate;prop-2-enoic acid
CID 90256429
prop-2-enoate sulfate
CID 18971000
magnesium;2-chloroacetate;prop-2-enoate
CID 22987449
2-aminoethylazanium;prop-2-enoate
CID 118678416
disodium;bis(prop-2-enamide);bis(prop-2-enoate)
CID 173417744
methane;tetrakis(prop-2-enoate);tetrakis(tetramethylazanium)
CID 158693664

Frequently Asked Questions

What is the IUPAC name of copper;2-azanidylethylazanide;bis(prop-2-enoate)?
The IUPAC name of copper;2-azanidylethylazanide;bis(prop-2-enoate) (CID 131844736) is copper;2-azanidylethylazanide;bis(prop-2-enoate).
What is the SMILES notation for copper;2-azanidylethylazanide;bis(prop-2-enoate)?
The canonical SMILES for copper;2-azanidylethylazanide;bis(prop-2-enoate) is C=CC(=O)[O-].C=CC(=O)[O-].[Cu+2].[NH-]CC[NH-].
What is the InChIKey of copper;2-azanidylethylazanide;bis(prop-2-enoate)?
The InChIKey is BDHJJJDARBUDDK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H4O2.C2H6N2.Cu/c2*1-2-3(4)5;3-1-2-4;/h2*2H,1H2,(H,4,5);3-4H,1-2H2;/q;;-2;+2/p-2.
What are the key properties of copper;2-azanidylethylazanide;bis(prop-2-enoate)?
copper;2-azanidylethylazanide;bis(prop-2-enoate) has a molecular weight of 263.74 g/mol, XLogP of -1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-azanidylethylazanide;bis(prop-2-enoate) is sourced from PubChem (CID 131844736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).