(benzylamino)methanone;iridium

C8H8IrNO- — CID 177404919

IUPAC(benzylamino)methanone;iridium
SMILESO=[C-]NCc1ccccc1.[Ir]
InChIInChI=1S/C8H8NO.Ir/c10-7-9-6-8-4-2-1-3-5-8;/h1-5H,6H2,(H,9,10);/q-1;
InChIKeyNTSOZOGSDNUIPP-UHFFFAOYSA-N
MW326.38 g/mol
LogP0.84
Rot. Bonds3

About (benzylamino)methanone;iridium

(benzylamino)methanone;iridium (PubChem CID 177404919) has the molecular formula C8H8IrNO- and a molecular weight of 326.38 g/mol. Its IUPAC name is (benzylamino)methanone;iridium.

Molecular Properties

Compound Name(benzylamino)methanone;iridium
PubChem CID177404919
Molecular FormulaC8H8IrNO-
Molecular Weight326.38 g/mol
Exact Mass327.02
IUPAC Name(benzylamino)methanone;iridium
SMILESO=[C-]NCc1ccccc1.[Ir]
InChIInChI=1S/C8H8NO.Ir/c10-7-9-6-8-4-2-1-3-5-8;/h1-5H,6H2,(H,9,10);/q-1;
InChIKeyNTSOZOGSDNUIPP-UHFFFAOYSA-N
XLogP0.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (benzylamino)methanone;iridium?
The IUPAC name of (benzylamino)methanone;iridium (CID 177404919) is (benzylamino)methanone;iridium.
What is the SMILES notation for (benzylamino)methanone;iridium?
The canonical SMILES for (benzylamino)methanone;iridium is O=[C-]NCc1ccccc1.[Ir].
What is the InChIKey of (benzylamino)methanone;iridium?
The InChIKey is NTSOZOGSDNUIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8NO.Ir/c10-7-9-6-8-4-2-1-3-5-8;/h1-5H,6H2,(H,9,10);/q-1;.
What are the key properties of (benzylamino)methanone;iridium?
(benzylamino)methanone;iridium has a molecular weight of 326.38 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (benzylamino)methanone;iridium is sourced from PubChem (CID 177404919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).