About CID 134902353
CID 134902353 (PubChem CID 134902353) has the molecular formula C13H14NO3V
and a molecular weight of 283.20 g/mol.
Molecular Properties
| Compound Name | CID 134902353 |
|---|
| PubChem CID | 134902353 |
|---|
| Molecular Formula | C13H14NO3V |
|---|
| Molecular Weight | 283.20 g/mol |
|---|
| Exact Mass | 283.04 |
|---|
| IUPAC Name | — |
|---|
| SMILES | [C-]#[N+]C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]1C=CC=C1.[V] |
|---|
| InChI | InChI=1S/C5H9N.C5H5.3CO.V/c1-5(2,3)6-4;1-2-4-5-3-1;3*1-2;/h1-3H3;1-5H;;;; |
|---|
| InChIKey | MFECGAQYEODXRJ-UHFFFAOYSA-N |
|---|
| XLogP | 2.91 |
|---|
| TPSA | 64.06 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 18 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 283.20 |
| LogP ≤ 5 | 2.91 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of CID 134902353?
The IUPAC name of CID 134902353 (CID 134902353) is not available.
What is the SMILES notation for CID 134902353?
The canonical SMILES for CID 134902353 is [C-]#[N+]C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]1C=CC=C1.[V].
What is the InChIKey of CID 134902353?
The InChIKey is MFECGAQYEODXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N.C5H5.3CO.V/c1-5(2,3)6-4;1-2-4-5-3-1;3*1-2;/h1-3H3;1-5H;;;;.
What are the key properties of CID 134902353?
CID 134902353 has a molecular weight of 283.20 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134902353 is sourced from PubChem (CID 134902353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).