zinc;N,N-dimethylpyridin-4-amine;bis((Z)-4-oxopent-2-en-2-olate)

C17H24N2O4Zn — CID 139185110

IUPACzinc;N,N-dimethylpyridin-4-amine;bis((Z)-4-oxopent-2-en-2-olate)
SMILESCC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].CN(C)c1ccncc1.[Zn+2]
InChIInChI=1S/C7H10N2.2C5H8O2.Zn/c1-9(2)7-3-5-8-6-4-7;2*1-4(6)3-5(2)7;/h3-6H,1-2H3;2*3,6H,1-2H3;/q;;;+2/p-2/b;2*4-3-;
InChIKeyVPJCEMALVXKDLL-QDMRRLORSA-L
MW385.78 g/mol
LogP0.82
Rot. Bonds3

About zinc;N,N-dimethylpyridin-4-amine;bis((Z)-4-oxopent-2-en-2-olate)

zinc;N,N-dimethylpyridin-4-amine;bis((Z)-4-oxopent-2-en-2-olate) (PubChem CID 139185110) has the molecular formula C17H24N2O4Zn and a molecular weight of 385.78 g/mol. Its IUPAC name is zinc;N,N-dimethylpyridin-4-amine;bis((Z)-4-oxopent-2-en-2-olate).

Molecular Properties

Compound Namezinc;N,N-dimethylpyridin-4-amine;bis((Z)-4-oxopent-2-en-2-olate)
PubChem CID139185110
Molecular FormulaC17H24N2O4Zn
Molecular Weight385.78 g/mol
Exact Mass384.10
IUPAC Namezinc;N,N-dimethylpyridin-4-amine;bis((Z)-4-oxopent-2-en-2-olate)
SMILESCC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].CN(C)c1ccncc1.[Zn+2]
InChIInChI=1S/C7H10N2.2C5H8O2.Zn/c1-9(2)7-3-5-8-6-4-7;2*1-4(6)3-5(2)7;/h3-6H,1-2H3;2*3,6H,1-2H3;/q;;;+2/p-2/b;2*4-3-;
InChIKeyVPJCEMALVXKDLL-QDMRRLORSA-L
XLogP0.82
TPSA96.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.78
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

zinc;N,N-dimethylpyridin-4-amine;dichloride
CID 175706220
N,N-dimethylpyridin-4-amine
CID 14284
carbonochloridic acid;N,N-dimethylpyridin-4-amine
CID 172753454
tris(N,N-dimethylpyridin-4-amine);trihydrobromide
CID 68567794
N,N-dimethylpyridin-4-amine;terbium
CID 21052224
lithium;N,N-dimethylpyridin-4-amine;hydroxide
CID 174914031
hexakis((E)-4-oxopent-2-en-2-olate);tris(titanium(4+));hexachloride
CID 170851983
acetonitrile;N,N-dimethylpyridin-4-amine
CID 160806419
indium(3+);tris(4-oxopent-2-en-2-olate)
CID 26667
gold(1+);(Z)-4-oxopent-2-en-2-olate
CID 18374019
lanthanum(3+);tris((E)-4-oxopent-2-en-2-olate)
CID 53384561
copper;bis(2-(4-bromophenyl)acetate);bis(N,N-dimethylpyridin-4-amine);dihydrate
CID 139077388

Frequently Asked Questions

What is the IUPAC name of zinc;N,N-dimethylpyridin-4-amine;bis((Z)-4-oxopent-2-en-2-olate)?
The IUPAC name of zinc;N,N-dimethylpyridin-4-amine;bis((Z)-4-oxopent-2-en-2-olate) (CID 139185110) is zinc;N,N-dimethylpyridin-4-amine;bis((Z)-4-oxopent-2-en-2-olate).
What is the SMILES notation for zinc;N,N-dimethylpyridin-4-amine;bis((Z)-4-oxopent-2-en-2-olate)?
The canonical SMILES for zinc;N,N-dimethylpyridin-4-amine;bis((Z)-4-oxopent-2-en-2-olate) is CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].CN(C)c1ccncc1.[Zn+2].
What is the InChIKey of zinc;N,N-dimethylpyridin-4-amine;bis((Z)-4-oxopent-2-en-2-olate)?
The InChIKey is VPJCEMALVXKDLL-QDMRRLORSA-L. The full InChI is InChI=1S/C7H10N2.2C5H8O2.Zn/c1-9(2)7-3-5-8-6-4-7;2*1-4(6)3-5(2)7;/h3-6H,1-2H3;2*3,6H,1-2H3;/q;;;+2/p-2/b;2*4-3-;.
What are the key properties of zinc;N,N-dimethylpyridin-4-amine;bis((Z)-4-oxopent-2-en-2-olate)?
zinc;N,N-dimethylpyridin-4-amine;bis((Z)-4-oxopent-2-en-2-olate) has a molecular weight of 385.78 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;N,N-dimethylpyridin-4-amine;bis((Z)-4-oxopent-2-en-2-olate) is sourced from PubChem (CID 139185110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).