(Z)-N-formyl-3-[(5-formyl-4-hydroxyoxolan-2-yl)-methylamino]-2-methylprop-2-enamide;iridium

C11H16IrN2O5 — CID 169252444

IUPAC(Z)-N-formyl-3-[(5-formyl-4-hydroxyoxolan-2-yl)-methylamino]-2-methylprop-2-enamide;iridium
SMILESC/C(=C/N(C)C1CC(O)C(C=O)O1)C(=O)NC=O.[Ir]
InChIInChI=1S/C11H16N2O5.Ir/c1-7(11(17)12-6-15)4-13(2)10-3-8(16)9(5-14)18-10;/h4-6,8-10,16H,3H2,1-2H3,(H,12,15,17);/b7-4-;
InChIKeyXKBSBIFXLSCMOL-ZULQGGHCSA-N
MW448.48 g/mol
LogP-1.23
Rot. Bonds5

About (Z)-N-formyl-3-[(5-formyl-4-hydroxyoxolan-2-yl)-methylamino]-2-methylprop-2-enamide;iridium

(Z)-N-formyl-3-[(5-formyl-4-hydroxyoxolan-2-yl)-methylamino]-2-methylprop-2-enamide;iridium (PubChem CID 169252444) has the molecular formula C11H16IrN2O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is (Z)-N-formyl-3-[(5-formyl-4-hydroxyoxolan-2-yl)-methylamino]-2-methylprop-2-enamide;iridium.

Molecular Properties

Compound Name(Z)-N-formyl-3-[(5-formyl-4-hydroxyoxolan-2-yl)-methylamino]-2-methylprop-2-enamide;iridium
PubChem CID169252444
Molecular FormulaC11H16IrN2O5
Molecular Weight448.48 g/mol
Exact Mass449.07
IUPAC Name(Z)-N-formyl-3-[(5-formyl-4-hydroxyoxolan-2-yl)-methylamino]-2-methylprop-2-enamide;iridium
SMILESC/C(=C/N(C)C1CC(O)C(C=O)O1)C(=O)NC=O.[Ir]
InChIInChI=1S/C11H16N2O5.Ir/c1-7(11(17)12-6-15)4-13(2)10-3-8(16)9(5-14)18-10;/h4-6,8-10,16H,3H2,1-2H3,(H,12,15,17);/b7-4-;
InChIKeyXKBSBIFXLSCMOL-ZULQGGHCSA-N
XLogP-1.23
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-formyl-3-[(5-formyl-4-hydroxyoxolan-2-yl)-methylamino]-2-methylprop-2-enamide;iridium?
The IUPAC name of (Z)-N-formyl-3-[(5-formyl-4-hydroxyoxolan-2-yl)-methylamino]-2-methylprop-2-enamide;iridium (CID 169252444) is (Z)-N-formyl-3-[(5-formyl-4-hydroxyoxolan-2-yl)-methylamino]-2-methylprop-2-enamide;iridium.
What is the SMILES notation for (Z)-N-formyl-3-[(5-formyl-4-hydroxyoxolan-2-yl)-methylamino]-2-methylprop-2-enamide;iridium?
The canonical SMILES for (Z)-N-formyl-3-[(5-formyl-4-hydroxyoxolan-2-yl)-methylamino]-2-methylprop-2-enamide;iridium is C/C(=C/N(C)C1CC(O)C(C=O)O1)C(=O)NC=O.[Ir].
What is the InChIKey of (Z)-N-formyl-3-[(5-formyl-4-hydroxyoxolan-2-yl)-methylamino]-2-methylprop-2-enamide;iridium?
The InChIKey is XKBSBIFXLSCMOL-ZULQGGHCSA-N. The full InChI is InChI=1S/C11H16N2O5.Ir/c1-7(11(17)12-6-15)4-13(2)10-3-8(16)9(5-14)18-10;/h4-6,8-10,16H,3H2,1-2H3,(H,12,15,17);/b7-4-;.
What are the key properties of (Z)-N-formyl-3-[(5-formyl-4-hydroxyoxolan-2-yl)-methylamino]-2-methylprop-2-enamide;iridium?
(Z)-N-formyl-3-[(5-formyl-4-hydroxyoxolan-2-yl)-methylamino]-2-methylprop-2-enamide;iridium has a molecular weight of 448.48 g/mol, XLogP of -1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-formyl-3-[(5-formyl-4-hydroxyoxolan-2-yl)-methylamino]-2-methylprop-2-enamide;iridium is sourced from PubChem (CID 169252444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).