carbanide;iridium;2-prop-1-enyl-3,4-dihydropyridine

C9H13IrN-2 — CID 59403546

IUPACcarbanide;iridium;2-prop-1-enyl-3,4-dihydropyridine
SMILESC/[C-]=C/C1=NC=CCC1.[CH3-].[Ir]
InChIInChI=1S/C8H10N.CH3.Ir/c1-2-5-8-6-3-4-7-9-8;;/h4-5,7H,3,6H2,1H3;1H3;/q2*-1;
InChIKeyJRMFDEDRXFTZCQ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.56
Rot. Bonds1

About carbanide;iridium;2-prop-1-enyl-3,4-dihydropyridine

carbanide;iridium;2-prop-1-enyl-3,4-dihydropyridine (PubChem CID 59403546) has the molecular formula C9H13IrN-2 and a molecular weight of 327.43 g/mol. Its IUPAC name is carbanide;iridium;2-prop-1-enyl-3,4-dihydropyridine.

Molecular Properties

Compound Namecarbanide;iridium;2-prop-1-enyl-3,4-dihydropyridine
PubChem CID59403546
Molecular FormulaC9H13IrN-2
Molecular Weight327.43 g/mol
Exact Mass328.07
IUPAC Namecarbanide;iridium;2-prop-1-enyl-3,4-dihydropyridine
SMILESC/[C-]=C/C1=NC=CCC1.[CH3-].[Ir]
InChIInChI=1S/C8H10N.CH3.Ir/c1-2-5-8-6-3-4-7-9-8;;/h4-5,7H,3,6H2,1H3;1H3;/q2*-1;
InChIKeyJRMFDEDRXFTZCQ-UHFFFAOYSA-N
XLogP2.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4h-Indenopyridine
CID 129788783
5,6-dihydro-1H-indolizin-4-ium
CID 18684139
5-methyl-5,6-dihydro-1H-indolizin-4-ium
CID 18684141
3-methyl-5H-indole
CID 20712166
7H-indole
CID 22406159
2-phenyl-3H-pyrrole
CID 57701522
Iridium;2-phenyl-3,4-dihydropyridine
CID 58695375
(5S)-5-methyl-5,6-dihydro-1H-indolizin-4-ium
CID 58995854
5-methyl-3aH-pyrrolo[3,2-b]pyridine
CID 59199740
2-[(Z)-but-1-enyl]-3H-pyrrole
CID 59879717
4,6-dimethyl-7H-indole
CID 68730229
2,5-diethyl-3aH-pyrrolo[3,2-b]pyridine
CID 89014932

Frequently Asked Questions

What is the IUPAC name of carbanide;iridium;2-prop-1-enyl-3,4-dihydropyridine?
The IUPAC name of carbanide;iridium;2-prop-1-enyl-3,4-dihydropyridine (CID 59403546) is carbanide;iridium;2-prop-1-enyl-3,4-dihydropyridine.
What is the SMILES notation for carbanide;iridium;2-prop-1-enyl-3,4-dihydropyridine?
The canonical SMILES for carbanide;iridium;2-prop-1-enyl-3,4-dihydropyridine is C/[C-]=C/C1=NC=CCC1.[CH3-].[Ir].
What is the InChIKey of carbanide;iridium;2-prop-1-enyl-3,4-dihydropyridine?
The InChIKey is JRMFDEDRXFTZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N.CH3.Ir/c1-2-5-8-6-3-4-7-9-8;;/h4-5,7H,3,6H2,1H3;1H3;/q2*-1;.
What are the key properties of carbanide;iridium;2-prop-1-enyl-3,4-dihydropyridine?
carbanide;iridium;2-prop-1-enyl-3,4-dihydropyridine has a molecular weight of 327.43 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;iridium;2-prop-1-enyl-3,4-dihydropyridine is sourced from PubChem (CID 59403546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).