CID 58019831

C10H14NO2W- — CID 58019831

IUPAC—
SMILESCC(=O)C12C[C-]1C1(CO1)C(C)N2C.[W]
InChIInChI=1S/C10H14NO2.W/c1-6-10(5-13-10)8-4-9(8,7(2)12)11(6)3;/h6H,4-5H2,1-3H3;/q-1;
InChIKeyOSYUMYXVZDXLCY-UHFFFAOYSA-N
MW364.07 g/mol
LogP0.39
Rot. Bonds1

About CID 58019831

CID 58019831 (PubChem CID 58019831) has the molecular formula C10H14NO2W- and a molecular weight of 364.07 g/mol.

Molecular Properties

Compound NameCID 58019831
PubChem CID58019831
Molecular FormulaC10H14NO2W-
Molecular Weight364.07 g/mol
Exact Mass364.05
IUPAC Name—
SMILESCC(=O)C12C[C-]1C1(CO1)C(C)N2C.[W]
InChIInChI=1S/C10H14NO2.W/c1-6-10(5-13-10)8-4-9(8,7(2)12)11(6)3;/h6H,4-5H2,1-3H3;/q-1;
InChIKeyOSYUMYXVZDXLCY-UHFFFAOYSA-N
XLogP0.39
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.07
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 58019831?
The IUPAC name of CID 58019831 (CID 58019831) is not available.
What is the SMILES notation for CID 58019831?
The canonical SMILES for CID 58019831 is CC(=O)C12C[C-]1C1(CO1)C(C)N2C.[W].
What is the InChIKey of CID 58019831?
The InChIKey is OSYUMYXVZDXLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NO2.W/c1-6-10(5-13-10)8-4-9(8,7(2)12)11(6)3;/h6H,4-5H2,1-3H3;/q-1;.
What are the key properties of CID 58019831?
CID 58019831 has a molecular weight of 364.07 g/mol, XLogP of 0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58019831 is sourced from PubChem (CID 58019831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).