sodium;2-hydroxybenzoate;1-methylpyrrolidin-2-one

C12H14NNaO4 — CID 67931459

IUPACsodium;2-hydroxybenzoate;1-methylpyrrolidin-2-one
SMILESCN1CCCC1=O.O=C([O-])c1ccccc1O.[Na+]
InChIInChI=1S/C7H6O3.C5H9NO.Na/c8-6-4-2-1-3-5(6)7(9)10;1-6-4-2-3-5(6)7;/h1-4,8H,(H,9,10);2-4H2,1H3;/q;;+1/p-1
InChIKeyPOZGVALFALCAJO-UHFFFAOYSA-M
MW259.24 g/mol
LogP-3.00
Rot. Bonds1

About sodium;2-hydroxybenzoate;1-methylpyrrolidin-2-one

sodium;2-hydroxybenzoate;1-methylpyrrolidin-2-one (PubChem CID 67931459) has the molecular formula C12H14NNaO4 and a molecular weight of 259.24 g/mol. Its IUPAC name is sodium;2-hydroxybenzoate;1-methylpyrrolidin-2-one.

Molecular Properties

Compound Namesodium;2-hydroxybenzoate;1-methylpyrrolidin-2-one
PubChem CID67931459
Molecular FormulaC12H14NNaO4
Molecular Weight259.24 g/mol
Exact Mass259.08
IUPAC Namesodium;2-hydroxybenzoate;1-methylpyrrolidin-2-one
SMILESCN1CCCC1=O.O=C([O-])c1ccccc1O.[Na+]
InChIInChI=1S/C7H6O3.C5H9NO.Na/c8-6-4-2-1-3-5(6)7(9)10;1-6-4-2-3-5(6)7;/h1-4,8H,(H,9,10);2-4H2,1H3;/q;;+1/p-1
InChIKeyPOZGVALFALCAJO-UHFFFAOYSA-M
XLogP-3.00
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 5-3.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium;2-hydroxybenzoate;1-methylpyrrolidin-2-one?
The IUPAC name of sodium;2-hydroxybenzoate;1-methylpyrrolidin-2-one (CID 67931459) is sodium;2-hydroxybenzoate;1-methylpyrrolidin-2-one.
What is the SMILES notation for sodium;2-hydroxybenzoate;1-methylpyrrolidin-2-one?
The canonical SMILES for sodium;2-hydroxybenzoate;1-methylpyrrolidin-2-one is CN1CCCC1=O.O=C([O-])c1ccccc1O.[Na+].
What is the InChIKey of sodium;2-hydroxybenzoate;1-methylpyrrolidin-2-one?
The InChIKey is POZGVALFALCAJO-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O3.C5H9NO.Na/c8-6-4-2-1-3-5(6)7(9)10;1-6-4-2-3-5(6)7;/h1-4,8H,(H,9,10);2-4H2,1H3;/q;;+1/p-1.
What are the key properties of sodium;2-hydroxybenzoate;1-methylpyrrolidin-2-one?
sodium;2-hydroxybenzoate;1-methylpyrrolidin-2-one has a molecular weight of 259.24 g/mol, XLogP of -3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-hydroxybenzoate;1-methylpyrrolidin-2-one is sourced from PubChem (CID 67931459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).