CID 174408894

C11H16NO2Sn+ — CID 174408894

IUPAC—
SMILESCOC(=O)c1ccccc1[N+](C)(C)C.[Sn]
InChIInChI=1S/C11H16NO2.Sn/c1-12(2,3)10-8-6-5-7-9(10)11(13)14-4;/h5-8H,1-4H3;/q+1;
InChIKeyJVWDWGNFRUTTTC-UHFFFAOYSA-N
MW312.97 g/mol
LogP1.29
Rot. Bonds2

About CID 174408894

CID 174408894 (PubChem CID 174408894) has the molecular formula C11H16NO2Sn+ and a molecular weight of 312.97 g/mol.

Molecular Properties

Compound NameCID 174408894
PubChem CID174408894
Molecular FormulaC11H16NO2Sn+
Molecular Weight312.97 g/mol
Exact Mass314.02
IUPAC Name—
SMILESCOC(=O)c1ccccc1[N+](C)(C)C.[Sn]
InChIInChI=1S/C11H16NO2.Sn/c1-12(2,3)10-8-6-5-7-9(10)11(13)14-4;/h5-8H,1-4H3;/q+1;
InChIKeyJVWDWGNFRUTTTC-UHFFFAOYSA-N
XLogP1.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.97
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 174408894?
The IUPAC name of CID 174408894 (CID 174408894) is not available.
What is the SMILES notation for CID 174408894?
The canonical SMILES for CID 174408894 is COC(=O)c1ccccc1[N+](C)(C)C.[Sn].
What is the InChIKey of CID 174408894?
The InChIKey is JVWDWGNFRUTTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16NO2.Sn/c1-12(2,3)10-8-6-5-7-9(10)11(13)14-4;/h5-8H,1-4H3;/q+1;.
What are the key properties of CID 174408894?
CID 174408894 has a molecular weight of 312.97 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174408894 is sourced from PubChem (CID 174408894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).