sodium 7-(2-methylphenyl)iminocyclohepta-1,3,5-trien-1-olate

C14H12NNaO — CID 23721323

IUPACsodium 7-(2-methylphenyl)iminocyclohepta-1,3,5-trien-1-olate
SMILESCc1ccccc1/N=c1\cccccc1[O-].[Na+]
InChIInChI=1S/C14H13NO.Na/c1-11-7-5-6-8-12(11)15-13-9-3-2-4-10-14(13)16;/h2-10H,1H3,(H,15,16);/q;+1/p-1
InChIKeyIVIWUGMYTMDDBC-UHFFFAOYSA-M
MW233.25 g/mol
LogP-0.69
Rot. Bonds1

About sodium 7-(2-methylphenyl)iminocyclohepta-1,3,5-trien-1-olate

sodium 7-(2-methylphenyl)iminocyclohepta-1,3,5-trien-1-olate (PubChem CID 23721323) has the molecular formula C14H12NNaO and a molecular weight of 233.25 g/mol. Its IUPAC name is sodium 7-(2-methylphenyl)iminocyclohepta-1,3,5-trien-1-olate.

Molecular Properties

Compound Namesodium 7-(2-methylphenyl)iminocyclohepta-1,3,5-trien-1-olate
PubChem CID23721323
Molecular FormulaC14H12NNaO
Molecular Weight233.25 g/mol
Exact Mass233.08
IUPAC Namesodium 7-(2-methylphenyl)iminocyclohepta-1,3,5-trien-1-olate
SMILESCc1ccccc1/N=c1\cccccc1[O-].[Na+]
InChIInChI=1S/C14H13NO.Na/c1-11-7-5-6-8-12(11)15-13-9-3-2-4-10-14(13)16;/h2-10H,1H3,(H,15,16);/q;+1/p-1
InChIKeyIVIWUGMYTMDDBC-UHFFFAOYSA-M
XLogP-0.69
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium 7-(2-methylphenyl)iminocyclohepta-1,3,5-trien-1-olate?
The IUPAC name of sodium 7-(2-methylphenyl)iminocyclohepta-1,3,5-trien-1-olate (CID 23721323) is sodium 7-(2-methylphenyl)iminocyclohepta-1,3,5-trien-1-olate.
What is the SMILES notation for sodium 7-(2-methylphenyl)iminocyclohepta-1,3,5-trien-1-olate?
The canonical SMILES for sodium 7-(2-methylphenyl)iminocyclohepta-1,3,5-trien-1-olate is Cc1ccccc1/N=c1\cccccc1[O-].[Na+].
What is the InChIKey of sodium 7-(2-methylphenyl)iminocyclohepta-1,3,5-trien-1-olate?
The InChIKey is IVIWUGMYTMDDBC-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H13NO.Na/c1-11-7-5-6-8-12(11)15-13-9-3-2-4-10-14(13)16;/h2-10H,1H3,(H,15,16);/q;+1/p-1.
What are the key properties of sodium 7-(2-methylphenyl)iminocyclohepta-1,3,5-trien-1-olate?
sodium 7-(2-methylphenyl)iminocyclohepta-1,3,5-trien-1-olate has a molecular weight of 233.25 g/mol, XLogP of -0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 7-(2-methylphenyl)iminocyclohepta-1,3,5-trien-1-olate is sourced from PubChem (CID 23721323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).