About (2-amino-2H-furan-5-ylidene)methanone
(2-amino-2H-furan-5-ylidene)methanone (PubChem CID 87951591) has the molecular formula C5H5NO2
and a molecular weight of 111.10 g/mol. Its IUPAC name is (2-amino-2H-furan-5-ylidene)methanone.
Molecular Properties
| Compound Name | (2-amino-2H-furan-5-ylidene)methanone |
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| PubChem CID | 87951591 |
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| Molecular Formula | C5H5NO2 |
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| Molecular Weight | 111.10 g/mol |
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| Exact Mass | 111.03 |
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| IUPAC Name | (2-amino-2H-furan-5-ylidene)methanone |
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| SMILES | NC1C=CC(=C=O)O1 |
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| InChI | InChI=1S/C5H5NO2/c6-5-2-1-4(3-7)8-5/h1-2,5H,6H2 |
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| InChIKey | VPGNGMDHJOWDFP-UHFFFAOYSA-N |
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| XLogP | -0.43 |
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| TPSA | 52.32 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 3 |
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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 | 111.10 |
| LogP ≤ 5 | -0.43 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'ketene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (2-amino-2H-furan-5-ylidene)methanone?
The IUPAC name of (2-amino-2H-furan-5-ylidene)methanone (CID 87951591) is (2-amino-2H-furan-5-ylidene)methanone.
What is the SMILES notation for (2-amino-2H-furan-5-ylidene)methanone?
The canonical SMILES for (2-amino-2H-furan-5-ylidene)methanone is NC1C=CC(=C=O)O1.
What is the InChIKey of (2-amino-2H-furan-5-ylidene)methanone?
The InChIKey is VPGNGMDHJOWDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2/c6-5-2-1-4(3-7)8-5/h1-2,5H,6H2.
What are the key properties of (2-amino-2H-furan-5-ylidene)methanone?
(2-amino-2H-furan-5-ylidene)methanone has a molecular weight of 111.10 g/mol, XLogP of -0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2H-furan-5-ylidene)methanone is sourced from PubChem (CID 87951591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).