About 3-amino-1-phosphanylpyrrolidin-2-one
3-amino-1-phosphanylpyrrolidin-2-one (PubChem CID 20645460) has the molecular formula C4H9N2OP
and a molecular weight of 132.10 g/mol. Its IUPAC name is 3-amino-1-phosphanylpyrrolidin-2-one.
Molecular Properties
| Compound Name | 3-amino-1-phosphanylpyrrolidin-2-one |
|---|
| PubChem CID | 20645460 |
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| Molecular Formula | C4H9N2OP |
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| Molecular Weight | 132.10 g/mol |
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| Exact Mass | 132.05 |
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| IUPAC Name | 3-amino-1-phosphanylpyrrolidin-2-one |
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| SMILES | NC1CCN(P)C1=O |
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| InChI | InChI=1S/C4H9N2OP/c5-3-1-2-6(8)4(3)7/h3H,1-2,5,8H2 |
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| InChIKey | VBSQEMPBGPESHS-UHFFFAOYSA-N |
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| XLogP | -0.66 |
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| TPSA | 46.33 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 8 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 132.10 |
| LogP ≤ 5 | -0.66 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 3-amino-1-phosphanylpyrrolidin-2-one?
The IUPAC name of 3-amino-1-phosphanylpyrrolidin-2-one (CID 20645460) is 3-amino-1-phosphanylpyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-phosphanylpyrrolidin-2-one?
The canonical SMILES for 3-amino-1-phosphanylpyrrolidin-2-one is NC1CCN(P)C1=O.
What is the InChIKey of 3-amino-1-phosphanylpyrrolidin-2-one?
The InChIKey is VBSQEMPBGPESHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N2OP/c5-3-1-2-6(8)4(3)7/h3H,1-2,5,8H2.
What are the key properties of 3-amino-1-phosphanylpyrrolidin-2-one?
3-amino-1-phosphanylpyrrolidin-2-one has a molecular weight of 132.10 g/mol, XLogP of -0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-phosphanylpyrrolidin-2-one is sourced from PubChem (CID 20645460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).