copper (Z)-4-[2-[[(Z)-4-oxopent-2-en-2-yl]amino]propylamino]pent-3-en-2-one

C13H22CuN2O2+2 — CID 5493743

IUPACcopper (Z)-4-[2-[[(Z)-4-oxopent-2-en-2-yl]amino]propylamino]pent-3-en-2-one
SMILESCC(=O)/C=C(/C)NCC(C)N/C(C)=C\C(C)=O.[Cu+2]
InChIInChI=1S/C13H22N2O2.Cu/c1-9(6-12(4)16)14-8-11(3)15-10(2)7-13(5)17;/h6-7,11,14-15H,8H2,1-5H3;/q;+2/b9-6-,10-7-;
InChIKeyAXANBRGRJNZPKC-WPCQLAPBSA-N
MW301.88 g/mol
LogP1.54
Rot. Bonds7

About copper (Z)-4-[2-[[(Z)-4-oxopent-2-en-2-yl]amino]propylamino]pent-3-en-2-one

copper (Z)-4-[2-[[(Z)-4-oxopent-2-en-2-yl]amino]propylamino]pent-3-en-2-one (PubChem CID 5493743) has the molecular formula C13H22CuN2O2+2 and a molecular weight of 301.88 g/mol. Its IUPAC name is copper (Z)-4-[2-[[(Z)-4-oxopent-2-en-2-yl]amino]propylamino]pent-3-en-2-one.

Molecular Properties

Compound Namecopper (Z)-4-[2-[[(Z)-4-oxopent-2-en-2-yl]amino]propylamino]pent-3-en-2-one
PubChem CID5493743
Molecular FormulaC13H22CuN2O2+2
Molecular Weight301.88 g/mol
Exact Mass301.10
IUPAC Namecopper (Z)-4-[2-[[(Z)-4-oxopent-2-en-2-yl]amino]propylamino]pent-3-en-2-one
SMILESCC(=O)/C=C(/C)NCC(C)N/C(C)=C\C(C)=O.[Cu+2]
InChIInChI=1S/C13H22N2O2.Cu/c1-9(6-12(4)16)14-8-11(3)15-10(2)7-13(5)17;/h6-7,11,14-15H,8H2,1-5H3;/q;+2/b9-6-,10-7-;
InChIKeyAXANBRGRJNZPKC-WPCQLAPBSA-N
XLogP1.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.88
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper (Z)-4-[2-[[(Z)-4-oxopent-2-en-2-yl]amino]propylamino]pent-3-en-2-one?
The IUPAC name of copper (Z)-4-[2-[[(Z)-4-oxopent-2-en-2-yl]amino]propylamino]pent-3-en-2-one (CID 5493743) is copper (Z)-4-[2-[[(Z)-4-oxopent-2-en-2-yl]amino]propylamino]pent-3-en-2-one.
What is the SMILES notation for copper (Z)-4-[2-[[(Z)-4-oxopent-2-en-2-yl]amino]propylamino]pent-3-en-2-one?
The canonical SMILES for copper (Z)-4-[2-[[(Z)-4-oxopent-2-en-2-yl]amino]propylamino]pent-3-en-2-one is CC(=O)/C=C(/C)NCC(C)N/C(C)=C\C(C)=O.[Cu+2].
What is the InChIKey of copper (Z)-4-[2-[[(Z)-4-oxopent-2-en-2-yl]amino]propylamino]pent-3-en-2-one?
The InChIKey is AXANBRGRJNZPKC-WPCQLAPBSA-N. The full InChI is InChI=1S/C13H22N2O2.Cu/c1-9(6-12(4)16)14-8-11(3)15-10(2)7-13(5)17;/h6-7,11,14-15H,8H2,1-5H3;/q;+2/b9-6-,10-7-;.
What are the key properties of copper (Z)-4-[2-[[(Z)-4-oxopent-2-en-2-yl]amino]propylamino]pent-3-en-2-one?
copper (Z)-4-[2-[[(Z)-4-oxopent-2-en-2-yl]amino]propylamino]pent-3-en-2-one has a molecular weight of 301.88 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper (Z)-4-[2-[[(Z)-4-oxopent-2-en-2-yl]amino]propylamino]pent-3-en-2-one is sourced from PubChem (CID 5493743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).