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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Related Compounds

manganese(3+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
CID 6711806
copper 2-[4-[(2-oxidophenyl)methylideneamino]butyliminomethyl]phenolate
CID 139055616
chloroform;bis(nickel(2+));bis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate)
CID 139067410
manganese(3+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;isothiocyanate
CID 139074438
trizinc;bis(2-[3-[(2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate);diacetate
CID 139058151
oxovanadium;bis(2-(propyliminomethyl)phenol)
CID 5242411
bis(N,N-dimethylformamide);bis(iron(3+));bis(2-[3-[(2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate);dihydroxide
CID 139076139
hexakis(manganese(3+));tetrakis(oxido(dioxo)vanadium);hexakis(2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);diperchlorate;octahydrate
CID 139261434
bis(4-chloropyridine);cobalt(3+);methanol;2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;perchlorate
CID 139080116
2-[2-[bis[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(pyridine);uranium(4+);iodide
CID 139052351
2-(2-piperazin-4-ium-1-ylethyliminomethyl)phenolate
CID 152752867
bis(2-hydroxybenzoate);manganese(2+);methanol;tetrakis(nickel(2+));tetrakis(2-[3-[(2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate)
CID 139142090

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).