zinc;benzene;morpholin-4-ide

C10H13NOZn — CID 20511444

IUPACzinc;benzene;morpholin-4-ide
SMILESC1COCC[N-]1.[Zn+2].[c-]1ccccc1
InChIInChI=1S/C6H5.C4H8NO.Zn/c1-2-4-6-5-3-1;1-3-6-4-2-5-1;/h1-5H;1-4H2;/q2*-1;+2
InChIKeyRHKXOHVJMJXQJQ-UHFFFAOYSA-N
MW228.61 g/mol
LogP1.87
Rot. Bonds

About zinc;benzene;morpholin-4-ide

zinc;benzene;morpholin-4-ide (PubChem CID 20511444) has the molecular formula C10H13NOZn and a molecular weight of 228.61 g/mol. Its IUPAC name is zinc;benzene;morpholin-4-ide.

Molecular Properties

Compound Namezinc;benzene;morpholin-4-ide
PubChem CID20511444
Molecular FormulaC10H13NOZn
Molecular Weight228.61 g/mol
Exact Mass227.03
IUPAC Namezinc;benzene;morpholin-4-ide
SMILESC1COCC[N-]1.[Zn+2].[c-]1ccccc1
InChIInChI=1S/C6H5.C4H8NO.Zn/c1-2-4-6-5-3-1;1-3-6-4-2-5-1;/h1-5H;1-4H2;/q2*-1;+2
InChIKeyRHKXOHVJMJXQJQ-UHFFFAOYSA-N
XLogP1.87
TPSA23.33 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.61
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of zinc;benzene;morpholin-4-ide?
The IUPAC name of zinc;benzene;morpholin-4-ide (CID 20511444) is zinc;benzene;morpholin-4-ide.
What is the SMILES notation for zinc;benzene;morpholin-4-ide?
The canonical SMILES for zinc;benzene;morpholin-4-ide is C1COCC[N-]1.[Zn+2].[c-]1ccccc1.
What is the InChIKey of zinc;benzene;morpholin-4-ide?
The InChIKey is RHKXOHVJMJXQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.C4H8NO.Zn/c1-2-4-6-5-3-1;1-3-6-4-2-5-1;/h1-5H;1-4H2;/q2*-1;+2.
What are the key properties of zinc;benzene;morpholin-4-ide?
zinc;benzene;morpholin-4-ide has a molecular weight of 228.61 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;benzene;morpholin-4-ide is sourced from PubChem (CID 20511444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).