About CID 100977430
CID 100977430 (PubChem CID 100977430) has the molecular formula C7H10NO2
and a molecular weight of 140.16 g/mol.
Molecular Properties
| Compound Name | CID 100977430 |
|---|
| PubChem CID | 100977430 |
|---|
| Molecular Formula | C7H10NO2 |
|---|
| Molecular Weight | 140.16 g/mol |
|---|
| Exact Mass | 140.07 |
|---|
| IUPAC Name | — |
|---|
| SMILES | C[C@H]1OC[C@@H]2CC=C([O])N21 |
|---|
| InChI | InChI=1S/C7H10NO2/c1-5-8-6(4-10-5)2-3-7(8)9/h3,5-6H,2,4H2,1H3/t5-,6+/m1/s1 |
|---|
| InChIKey | QWSFMPQUUYVJTC-RITPCOANSA-N |
|---|
| XLogP | 0.71 |
|---|
| TPSA | 32.37 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 10 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 140.16 |
| LogP ≤ 5 | 0.71 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Analyze CID 100977430 with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of CID 100977430?
The IUPAC name of CID 100977430 (CID 100977430) is not available.
What is the SMILES notation for CID 100977430?
The canonical SMILES for CID 100977430 is C[C@H]1OC[C@@H]2CC=C([O])N21.
What is the InChIKey of CID 100977430?
The InChIKey is QWSFMPQUUYVJTC-RITPCOANSA-N. The full InChI is InChI=1S/C7H10NO2/c1-5-8-6(4-10-5)2-3-7(8)9/h3,5-6H,2,4H2,1H3/t5-,6+/m1/s1.
What are the key properties of CID 100977430?
CID 100977430 has a molecular weight of 140.16 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100977430 is sourced from PubChem (CID 100977430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).