sodium;hydroxy-oxido-oxosilane;naphthalene;pyrrolidin-2-one

C14H16NNaO4Si — CID 67586538

IUPACsodium;hydroxy-oxido-oxosilane;naphthalene;pyrrolidin-2-one
SMILESO=C1CCCN1.O=[Si]([O-])O.[Na+].c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C4H7NO.Na.HO3Si/c1-2-6-10-8-4-3-7-9(10)5-1;6-4-2-1-3-5-4;;1-4(2)3/h1-8H;1-3H2,(H,5,6);;1H/q;;+1;-1
InChIKeyPZIJRSQHIUPKFF-UHFFFAOYSA-N
MW313.36 g/mol
LogP-2.51
Rot. Bonds

About sodium;hydroxy-oxido-oxosilane;naphthalene;pyrrolidin-2-one

sodium;hydroxy-oxido-oxosilane;naphthalene;pyrrolidin-2-one (PubChem CID 67586538) has the molecular formula C14H16NNaO4Si and a molecular weight of 313.36 g/mol. Its IUPAC name is sodium;hydroxy-oxido-oxosilane;naphthalene;pyrrolidin-2-one.

Molecular Properties

Compound Namesodium;hydroxy-oxido-oxosilane;naphthalene;pyrrolidin-2-one
PubChem CID67586538
Molecular FormulaC14H16NNaO4Si
Molecular Weight313.36 g/mol
Exact Mass313.07
IUPAC Namesodium;hydroxy-oxido-oxosilane;naphthalene;pyrrolidin-2-one
SMILESO=C1CCCN1.O=[Si]([O-])O.[Na+].c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C4H7NO.Na.HO3Si/c1-2-6-10-8-4-3-7-9(10)5-1;6-4-2-1-3-5-4;;1-4(2)3/h1-8H;1-3H2,(H,5,6);;1H/q;;+1;-1
InChIKeyPZIJRSQHIUPKFF-UHFFFAOYSA-N
XLogP-2.51
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 5-2.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;hydroxy-oxido-oxosilane;naphthalene;pyrrolidin-2-one?
The IUPAC name of sodium;hydroxy-oxido-oxosilane;naphthalene;pyrrolidin-2-one (CID 67586538) is sodium;hydroxy-oxido-oxosilane;naphthalene;pyrrolidin-2-one.
What is the SMILES notation for sodium;hydroxy-oxido-oxosilane;naphthalene;pyrrolidin-2-one?
The canonical SMILES for sodium;hydroxy-oxido-oxosilane;naphthalene;pyrrolidin-2-one is O=C1CCCN1.O=[Si]([O-])O.[Na+].c1ccc2ccccc2c1.
What is the InChIKey of sodium;hydroxy-oxido-oxosilane;naphthalene;pyrrolidin-2-one?
The InChIKey is PZIJRSQHIUPKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C4H7NO.Na.HO3Si/c1-2-6-10-8-4-3-7-9(10)5-1;6-4-2-1-3-5-4;;1-4(2)3/h1-8H;1-3H2,(H,5,6);;1H/q;;+1;-1.
What are the key properties of sodium;hydroxy-oxido-oxosilane;naphthalene;pyrrolidin-2-one?
sodium;hydroxy-oxido-oxosilane;naphthalene;pyrrolidin-2-one has a molecular weight of 313.36 g/mol, XLogP of -2.51, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydroxy-oxido-oxosilane;naphthalene;pyrrolidin-2-one is sourced from PubChem (CID 67586538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).