(Z)-ethenoxyimino-(4-ethoxycarbonylpiperazin-1-yl)-oxidoazanium

C9H16N4O4 — CID 10847871

IUPAC(Z)-ethenoxyimino-(4-ethoxycarbonylpiperazin-1-yl)-oxidoazanium
SMILESC=CO/N=[N+](\[O-])N1CCN(C(=O)OCC)CC1
InChIInChI=1S/C9H16N4O4/c1-3-16-9(14)11-5-7-12(8-6-11)13(15)10-17-4-2/h4H,2-3,5-8H2,1H3/b13-10-
InChIKeyVHKDINJMLBILBU-RAXLEYEMSA-N
MW244.25 g/mol
LogP0.71
Rot. Bonds4

About (Z)-ethenoxyimino-(4-ethoxycarbonylpiperazin-1-yl)-oxidoazanium

(Z)-ethenoxyimino-(4-ethoxycarbonylpiperazin-1-yl)-oxidoazanium (PubChem CID 10847871) has the molecular formula C9H16N4O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is (Z)-ethenoxyimino-(4-ethoxycarbonylpiperazin-1-yl)-oxidoazanium.

Molecular Properties

Compound Name(Z)-ethenoxyimino-(4-ethoxycarbonylpiperazin-1-yl)-oxidoazanium
PubChem CID10847871
Molecular FormulaC9H16N4O4
Molecular Weight244.25 g/mol
Exact Mass244.12
IUPAC Name(Z)-ethenoxyimino-(4-ethoxycarbonylpiperazin-1-yl)-oxidoazanium
SMILESC=CO/N=[N+](\[O-])N1CCN(C(=O)OCC)CC1
InChIInChI=1S/C9H16N4O4/c1-3-16-9(14)11-5-7-12(8-6-11)13(15)10-17-4-2/h4H,2-3,5-8H2,1H3/b13-10-
InChIKeyVHKDINJMLBILBU-RAXLEYEMSA-N
XLogP0.71
TPSA80.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-(4-ethoxycarbonylpiperazin-1-yl)-methoxyimino-oxidoazanium
CID 10847158
(Z)-(4-ethoxycarbonylpiperazin-1-yl)-(5-fluoro-2,4-dinitrophenoxy)imino-oxidoazanium
CID 11668504
sodium (Z)-(4-butoxycarbonylpiperazin-1-yl)-oxido-oxidoiminoazanium
CID 135425322
(Z)-(4-ethoxycarbonyl-1,4-diazepan-1-yl)-(5-methyl-2,4-dinitrophenoxy)imino-oxidoazanium
CID 56833533
ethyl 4-carbamoylpiperazine-1-carboxylate
CID 82076471
ethyl azetidine-1-carboxylate
CID 14088501
ethyl 4-formylpiperazine-1-carboxylate
CID 14972642
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
CID 58731641
CID 58731641
ethyl 4-aminopiperazine-1-carboxylate;dihydrochloride
CID 133054505
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
ethyl azacycloundecane-1-carboxylate
CID 67670496

Frequently Asked Questions

What is the IUPAC name of (Z)-ethenoxyimino-(4-ethoxycarbonylpiperazin-1-yl)-oxidoazanium?
The IUPAC name of (Z)-ethenoxyimino-(4-ethoxycarbonylpiperazin-1-yl)-oxidoazanium (CID 10847871) is (Z)-ethenoxyimino-(4-ethoxycarbonylpiperazin-1-yl)-oxidoazanium.
What is the SMILES notation for (Z)-ethenoxyimino-(4-ethoxycarbonylpiperazin-1-yl)-oxidoazanium?
The canonical SMILES for (Z)-ethenoxyimino-(4-ethoxycarbonylpiperazin-1-yl)-oxidoazanium is C=CO/N=[N+](\[O-])N1CCN(C(=O)OCC)CC1.
What is the InChIKey of (Z)-ethenoxyimino-(4-ethoxycarbonylpiperazin-1-yl)-oxidoazanium?
The InChIKey is VHKDINJMLBILBU-RAXLEYEMSA-N. The full InChI is InChI=1S/C9H16N4O4/c1-3-16-9(14)11-5-7-12(8-6-11)13(15)10-17-4-2/h4H,2-3,5-8H2,1H3/b13-10-.
What are the key properties of (Z)-ethenoxyimino-(4-ethoxycarbonylpiperazin-1-yl)-oxidoazanium?
(Z)-ethenoxyimino-(4-ethoxycarbonylpiperazin-1-yl)-oxidoazanium has a molecular weight of 244.25 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-ethenoxyimino-(4-ethoxycarbonylpiperazin-1-yl)-oxidoazanium is sourced from PubChem (CID 10847871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).