copper;(Z)-3-[2-(diethylamino)ethylimino]-1-phenylbut-1-en-1-olate;nitrite

C16H23CuN3O3 — CID 139128441

IUPACcopper;(Z)-3-[2-(diethylamino)ethylimino]-1-phenylbut-1-en-1-olate;nitrite
SMILESCCN(CC)CC/N=C(C)/C=C(\[O-])c1ccccc1.O=N[O-].[Cu+2]
InChIInChI=1S/C16H24N2O.Cu.HNO2/c1-4-18(5-2)12-11-17-14(3)13-16(19)15-9-7-6-8-10-15;;2-1-3/h6-10,13,19H,4-5,11-12H2,1-3H3;;(H,2,3)/q;+2;/p-2/b16-13-,17-14+;;
InChIKeyLVDMQBDWHATHDX-JIWUARJNSA-L
MW368.92 g/mol
LogP2.44
Rot. Bonds7

About copper;(Z)-3-[2-(diethylamino)ethylimino]-1-phenylbut-1-en-1-olate;nitrite

copper;(Z)-3-[2-(diethylamino)ethylimino]-1-phenylbut-1-en-1-olate;nitrite (PubChem CID 139128441) has the molecular formula C16H23CuN3O3 and a molecular weight of 368.92 g/mol. Its IUPAC name is copper;(Z)-3-[2-(diethylamino)ethylimino]-1-phenylbut-1-en-1-olate;nitrite.

Molecular Properties

Compound Namecopper;(Z)-3-[2-(diethylamino)ethylimino]-1-phenylbut-1-en-1-olate;nitrite
PubChem CID139128441
Molecular FormulaC16H23CuN3O3
Molecular Weight368.92 g/mol
Exact Mass368.10
IUPAC Namecopper;(Z)-3-[2-(diethylamino)ethylimino]-1-phenylbut-1-en-1-olate;nitrite
SMILESCCN(CC)CC/N=C(C)/C=C(\[O-])c1ccccc1.O=N[O-].[Cu+2]
InChIInChI=1S/C16H24N2O.Cu.HNO2/c1-4-18(5-2)12-11-17-14(3)13-16(19)15-9-7-6-8-10-15;;2-1-3/h6-10,13,19H,4-5,11-12H2,1-3H3;;(H,2,3)/q;+2;/p-2/b16-13-,17-14+;;
InChIKeyLVDMQBDWHATHDX-JIWUARJNSA-L
XLogP2.44
TPSA91.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.92
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper;(Z)-3-[2-(diethylamino)ethylimino]-1-phenylbut-1-en-1-olate;nitrite?
The IUPAC name of copper;(Z)-3-[2-(diethylamino)ethylimino]-1-phenylbut-1-en-1-olate;nitrite (CID 139128441) is copper;(Z)-3-[2-(diethylamino)ethylimino]-1-phenylbut-1-en-1-olate;nitrite.
What is the SMILES notation for copper;(Z)-3-[2-(diethylamino)ethylimino]-1-phenylbut-1-en-1-olate;nitrite?
The canonical SMILES for copper;(Z)-3-[2-(diethylamino)ethylimino]-1-phenylbut-1-en-1-olate;nitrite is CCN(CC)CC/N=C(C)/C=C(\[O-])c1ccccc1.O=N[O-].[Cu+2].
What is the InChIKey of copper;(Z)-3-[2-(diethylamino)ethylimino]-1-phenylbut-1-en-1-olate;nitrite?
The InChIKey is LVDMQBDWHATHDX-JIWUARJNSA-L. The full InChI is InChI=1S/C16H24N2O.Cu.HNO2/c1-4-18(5-2)12-11-17-14(3)13-16(19)15-9-7-6-8-10-15;;2-1-3/h6-10,13,19H,4-5,11-12H2,1-3H3;;(H,2,3)/q;+2;/p-2/b16-13-,17-14+;;.
What are the key properties of copper;(Z)-3-[2-(diethylamino)ethylimino]-1-phenylbut-1-en-1-olate;nitrite?
copper;(Z)-3-[2-(diethylamino)ethylimino]-1-phenylbut-1-en-1-olate;nitrite has a molecular weight of 368.92 g/mol, XLogP of 2.44, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;(Z)-3-[2-(diethylamino)ethylimino]-1-phenylbut-1-en-1-olate;nitrite is sourced from PubChem (CID 139128441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).