About (Z)-1-hydroxypent-3-en-2-one
(Z)-1-hydroxypent-3-en-2-one (PubChem CID 14931195) has the molecular formula C5H8O2
and a molecular weight of 100.12 g/mol. Its IUPAC name is (Z)-1-hydroxypent-3-en-2-one.
Molecular Properties
| Compound Name | (Z)-1-hydroxypent-3-en-2-one |
|---|
| PubChem CID | 14931195 |
|---|
| Molecular Formula | C5H8O2 |
|---|
| Molecular Weight | 100.12 g/mol |
|---|
| Exact Mass | 100.05 |
|---|
| IUPAC Name | (Z)-1-hydroxypent-3-en-2-one |
|---|
| SMILES | C/C=C\C(=O)CO |
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| InChI | InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h2-3,6H,4H2,1H3/b3-2- |
|---|
| InChIKey | OCTFKHXFMOKGCD-IHWYPQMZSA-N |
|---|
| XLogP | 0.12 |
|---|
| TPSA | 37.30 Ų |
|---|
| H-Bond Donors | 1 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 7 |
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| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 100.12 |
| LogP ≤ 5 | 0.12 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of (Z)-1-hydroxypent-3-en-2-one?
The IUPAC name of (Z)-1-hydroxypent-3-en-2-one (CID 14931195) is (Z)-1-hydroxypent-3-en-2-one.
What is the SMILES notation for (Z)-1-hydroxypent-3-en-2-one?
The canonical SMILES for (Z)-1-hydroxypent-3-en-2-one is C/C=C\C(=O)CO.
What is the InChIKey of (Z)-1-hydroxypent-3-en-2-one?
The InChIKey is OCTFKHXFMOKGCD-IHWYPQMZSA-N. The full InChI is InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h2-3,6H,4H2,1H3/b3-2-.
What are the key properties of (Z)-1-hydroxypent-3-en-2-one?
(Z)-1-hydroxypent-3-en-2-one has a molecular weight of 100.12 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-hydroxypent-3-en-2-one is sourced from PubChem (CID 14931195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).