ethane;1-methyl-7H-isoquinolin-7-ide;rhodium

C12H14NRh- — CID 169127952

IUPACethane;1-methyl-7H-isoquinolin-7-ide;rhodium
SMILESCC.Cc1nccc2cc[c-]cc12.[Rh]
InChIInChI=1S/C10H8N.C2H6.Rh/c1-8-10-5-3-2-4-9(10)6-7-11-8;1-2;/h2,4-7H,1H3;1-2H3;/q-1;;
InChIKeyNMSYWYKDPGWFNW-UHFFFAOYSA-N
MW275.16 g/mol
LogP3.37
Rot. Bonds

About ethane;1-methyl-7H-isoquinolin-7-ide;rhodium

ethane;1-methyl-7H-isoquinolin-7-ide;rhodium (PubChem CID 169127952) has the molecular formula C12H14NRh- and a molecular weight of 275.16 g/mol. Its IUPAC name is ethane;1-methyl-7H-isoquinolin-7-ide;rhodium.

Molecular Properties

Compound Nameethane;1-methyl-7H-isoquinolin-7-ide;rhodium
PubChem CID169127952
Molecular FormulaC12H14NRh-
Molecular Weight275.16 g/mol
Exact Mass275.02
IUPAC Nameethane;1-methyl-7H-isoquinolin-7-ide;rhodium
SMILESCC.Cc1nccc2cc[c-]cc12.[Rh]
InChIInChI=1S/C10H8N.C2H6.Rh/c1-8-10-5-3-2-4-9(10)6-7-11-8;1-2;/h2,4-7H,1H3;1-2H3;/q-1;;
InChIKeyNMSYWYKDPGWFNW-UHFFFAOYSA-N
XLogP3.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 53.37
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

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CID 89594
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3-Methylpyridine
CID 7970
(+-)-Dimethindene
CID 21855
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
Quinoline
CID 7047
4-Methylpyridine
CID 7963
Pheniramine
CID 4761
Prothionamide
CID 666418
4-Vinylpyridine
CID 7502

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-7H-isoquinolin-7-ide;rhodium?
The IUPAC name of ethane;1-methyl-7H-isoquinolin-7-ide;rhodium (CID 169127952) is ethane;1-methyl-7H-isoquinolin-7-ide;rhodium.
What is the SMILES notation for ethane;1-methyl-7H-isoquinolin-7-ide;rhodium?
The canonical SMILES for ethane;1-methyl-7H-isoquinolin-7-ide;rhodium is CC.Cc1nccc2cc[c-]cc12.[Rh].
What is the InChIKey of ethane;1-methyl-7H-isoquinolin-7-ide;rhodium?
The InChIKey is NMSYWYKDPGWFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N.C2H6.Rh/c1-8-10-5-3-2-4-9(10)6-7-11-8;1-2;/h2,4-7H,1H3;1-2H3;/q-1;;.
What are the key properties of ethane;1-methyl-7H-isoquinolin-7-ide;rhodium?
ethane;1-methyl-7H-isoquinolin-7-ide;rhodium has a molecular weight of 275.16 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-7H-isoquinolin-7-ide;rhodium is sourced from PubChem (CID 169127952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).