CID 58019842

C10H16NO3W- — CID 58019842

IUPAC—
SMILESCC(=O)C12C[C-]1C(O)(CO)C(C)N2C.[W]
InChIInChI=1S/C10H16NO3.W/c1-6-10(14,5-12)8-4-9(8,7(2)13)11(6)3;/h6,12,14H,4-5H2,1-3H3;/q-1;
InChIKeyJQKJEEWTBUNBKN-UHFFFAOYSA-N
MW382.08 g/mol
LogP-0.65
Rot. Bonds2

About CID 58019842

CID 58019842 (PubChem CID 58019842) has the molecular formula C10H16NO3W- and a molecular weight of 382.08 g/mol.

Molecular Properties

Compound NameCID 58019842
PubChem CID58019842
Molecular FormulaC10H16NO3W-
Molecular Weight382.08 g/mol
Exact Mass382.06
IUPAC Name—
SMILESCC(=O)C12C[C-]1C(O)(CO)C(C)N2C.[W]
InChIInChI=1S/C10H16NO3.W/c1-6-10(14,5-12)8-4-9(8,7(2)13)11(6)3;/h6,12,14H,4-5H2,1-3H3;/q-1;
InChIKeyJQKJEEWTBUNBKN-UHFFFAOYSA-N
XLogP-0.65
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.08
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58019842?
The IUPAC name of CID 58019842 (CID 58019842) is not available.
What is the SMILES notation for CID 58019842?
The canonical SMILES for CID 58019842 is CC(=O)C12C[C-]1C(O)(CO)C(C)N2C.[W].
What is the InChIKey of CID 58019842?
The InChIKey is JQKJEEWTBUNBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO3.W/c1-6-10(14,5-12)8-4-9(8,7(2)13)11(6)3;/h6,12,14H,4-5H2,1-3H3;/q-1;.
What are the key properties of CID 58019842?
CID 58019842 has a molecular weight of 382.08 g/mol, XLogP of -0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58019842 is sourced from PubChem (CID 58019842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).