About 2-[[(Z)-2-aminoethenyl]amino]prop-2-enal
2-[[(Z)-2-aminoethenyl]amino]prop-2-enal (PubChem CID 87171458) has the molecular formula C5H8N2O
and a molecular weight of 112.13 g/mol. Its IUPAC name is 2-[[(Z)-2-aminoethenyl]amino]prop-2-enal.
Molecular Properties
| Compound Name | 2-[[(Z)-2-aminoethenyl]amino]prop-2-enal |
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| PubChem CID | 87171458 |
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| Molecular Formula | C5H8N2O |
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| Molecular Weight | 112.13 g/mol |
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| Exact Mass | 112.06 |
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| IUPAC Name | 2-[[(Z)-2-aminoethenyl]amino]prop-2-enal |
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| SMILES | C=C(C=O)N/C=C\N |
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| InChI | InChI=1S/C5H8N2O/c1-5(4-8)7-3-2-6/h2-4,7H,1,6H2/b3-2- |
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| InChIKey | CIONVJABLUQKSO-IHWYPQMZSA-N |
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| XLogP | -0.28 |
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| TPSA | 55.12 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 3 |
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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 |
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| MW ≤ 500 | 112.13 |
| LogP ≤ 5 | -0.28 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-[[(Z)-2-aminoethenyl]amino]prop-2-enal?
The IUPAC name of 2-[[(Z)-2-aminoethenyl]amino]prop-2-enal (CID 87171458) is 2-[[(Z)-2-aminoethenyl]amino]prop-2-enal.
What is the SMILES notation for 2-[[(Z)-2-aminoethenyl]amino]prop-2-enal?
The canonical SMILES for 2-[[(Z)-2-aminoethenyl]amino]prop-2-enal is C=C(C=O)N/C=C\N.
What is the InChIKey of 2-[[(Z)-2-aminoethenyl]amino]prop-2-enal?
The InChIKey is CIONVJABLUQKSO-IHWYPQMZSA-N. The full InChI is InChI=1S/C5H8N2O/c1-5(4-8)7-3-2-6/h2-4,7H,1,6H2/b3-2-.
What are the key properties of 2-[[(Z)-2-aminoethenyl]amino]prop-2-enal?
2-[[(Z)-2-aminoethenyl]amino]prop-2-enal has a molecular weight of 112.13 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-2-aminoethenyl]amino]prop-2-enal is sourced from PubChem (CID 87171458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).