About 2-cyano-N',N'-dimethyl-N-propylacetohydrazide
2-cyano-N',N'-dimethyl-N-propylacetohydrazide (PubChem CID 88658650) has the molecular formula C8H15N3O
and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-cyano-N',N'-dimethyl-N-propylacetohydrazide.
Molecular Properties
| Compound Name | 2-cyano-N',N'-dimethyl-N-propylacetohydrazide |
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| PubChem CID | 88658650 |
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| Molecular Formula | C8H15N3O |
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| Molecular Weight | 169.23 g/mol |
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| Exact Mass | 169.12 |
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| IUPAC Name | 2-cyano-N',N'-dimethyl-N-propylacetohydrazide |
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| SMILES | CCCN(C(=O)CC#N)N(C)C |
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| InChI | InChI=1S/C8H15N3O/c1-4-7-11(10(2)3)8(12)5-6-9/h4-5,7H2,1-3H3 |
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| InChIKey | REYYRDKBZCIZOP-UHFFFAOYSA-N |
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| XLogP | 0.62 |
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| TPSA | 47.34 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 12 |
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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 | 169.23 |
| LogP ≤ 5 | 0.62 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-cyano-N',N'-dimethyl-N-propylacetohydrazide?
The IUPAC name of 2-cyano-N',N'-dimethyl-N-propylacetohydrazide (CID 88658650) is 2-cyano-N',N'-dimethyl-N-propylacetohydrazide.
What is the SMILES notation for 2-cyano-N',N'-dimethyl-N-propylacetohydrazide?
The canonical SMILES for 2-cyano-N',N'-dimethyl-N-propylacetohydrazide is CCCN(C(=O)CC#N)N(C)C.
What is the InChIKey of 2-cyano-N',N'-dimethyl-N-propylacetohydrazide?
The InChIKey is REYYRDKBZCIZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-4-7-11(10(2)3)8(12)5-6-9/h4-5,7H2,1-3H3.
What are the key properties of 2-cyano-N',N'-dimethyl-N-propylacetohydrazide?
2-cyano-N',N'-dimethyl-N-propylacetohydrazide has a molecular weight of 169.23 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N',N'-dimethyl-N-propylacetohydrazide is sourced from PubChem (CID 88658650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).