sodium 2-(propyliminomethyl)phenolate

C10H12NNaO — CID 102119842

IUPACsodium 2-(propyliminomethyl)phenolate
SMILESCCC/N=C/c1ccccc1[O-].[Na+]
InChIInChI=1S/C10H13NO.Na/c1-2-7-11-8-9-5-3-4-6-10(9)12;/h3-6,8,12H,2,7H2,1H3;/q;+1/p-1/b11-8+;
InChIKeyAWAUNGSXRCRIOW-YGCVIUNWSA-M
MW185.20 g/mol
LogP-1.41
Rot. Bonds3

About sodium 2-(propyliminomethyl)phenolate

sodium 2-(propyliminomethyl)phenolate (PubChem CID 102119842) has the molecular formula C10H12NNaO and a molecular weight of 185.20 g/mol. Its IUPAC name is sodium 2-(propyliminomethyl)phenolate.

Molecular Properties

Compound Namesodium 2-(propyliminomethyl)phenolate
PubChem CID102119842
Molecular FormulaC10H12NNaO
Molecular Weight185.20 g/mol
Exact Mass185.08
IUPAC Namesodium 2-(propyliminomethyl)phenolate
SMILESCCC/N=C/c1ccccc1[O-].[Na+]
InChIInChI=1S/C10H13NO.Na/c1-2-7-11-8-9-5-3-4-6-10(9)12;/h3-6,8,12H,2,7H2,1H3;/q;+1/p-1/b11-8+;
InChIKeyAWAUNGSXRCRIOW-YGCVIUNWSA-M
XLogP-1.41
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 5-1.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium 2-(propyliminomethyl)phenolate?
The IUPAC name of sodium 2-(propyliminomethyl)phenolate (CID 102119842) is sodium 2-(propyliminomethyl)phenolate.
What is the SMILES notation for sodium 2-(propyliminomethyl)phenolate?
The canonical SMILES for sodium 2-(propyliminomethyl)phenolate is CCC/N=C/c1ccccc1[O-].[Na+].
What is the InChIKey of sodium 2-(propyliminomethyl)phenolate?
The InChIKey is AWAUNGSXRCRIOW-YGCVIUNWSA-M. The full InChI is InChI=1S/C10H13NO.Na/c1-2-7-11-8-9-5-3-4-6-10(9)12;/h3-6,8,12H,2,7H2,1H3;/q;+1/p-1/b11-8+;.
What are the key properties of sodium 2-(propyliminomethyl)phenolate?
sodium 2-(propyliminomethyl)phenolate has a molecular weight of 185.20 g/mol, XLogP of -1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(propyliminomethyl)phenolate is sourced from PubChem (CID 102119842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).