CID 156710219

C9H16IrNO2- — CID 156710219

IUPAC—
SMILESC[C-]1COCC(=O)NC(C)(C)C1.[Ir]
InChIInChI=1S/C9H16NO2.Ir/c1-7-4-9(2,3)10-8(11)6-12-5-7;/h4-6H2,1-3H3,(H,10,11);/q-1;
InChIKeyAWHFFHBWCVZDKW-UHFFFAOYSA-N
MW362.45 g/mol
LogP0.89
Rot. Bonds

About CID 156710219

CID 156710219 (PubChem CID 156710219) has the molecular formula C9H16IrNO2- and a molecular weight of 362.45 g/mol.

Molecular Properties

Compound NameCID 156710219
PubChem CID156710219
Molecular FormulaC9H16IrNO2-
Molecular Weight362.45 g/mol
Exact Mass363.08
IUPAC Name—
SMILESC[C-]1COCC(=O)NC(C)(C)C1.[Ir]
InChIInChI=1S/C9H16NO2.Ir/c1-7-4-9(2,3)10-8(11)6-12-5-7;/h4-6H2,1-3H3,(H,10,11);/q-1;
InChIKeyAWHFFHBWCVZDKW-UHFFFAOYSA-N
XLogP0.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 156710219?
The IUPAC name of CID 156710219 (CID 156710219) is not available.
What is the SMILES notation for CID 156710219?
The canonical SMILES for CID 156710219 is C[C-]1COCC(=O)NC(C)(C)C1.[Ir].
What is the InChIKey of CID 156710219?
The InChIKey is AWHFFHBWCVZDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16NO2.Ir/c1-7-4-9(2,3)10-8(11)6-12-5-7;/h4-6H2,1-3H3,(H,10,11);/q-1;.
What are the key properties of CID 156710219?
CID 156710219 has a molecular weight of 362.45 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156710219 is sourced from PubChem (CID 156710219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).