About N-methylidenebutanamide
N-methylidenebutanamide (PubChem CID 90694828) has the molecular formula C5H9NO
and a molecular weight of 99.13 g/mol. Its IUPAC name is N-methylidenebutanamide.
Molecular Properties
| Compound Name | N-methylidenebutanamide |
|---|
| PubChem CID | 90694828 |
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| Molecular Formula | C5H9NO |
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| Molecular Weight | 99.13 g/mol |
|---|
| Exact Mass | 99.07 |
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| IUPAC Name | N-methylidenebutanamide |
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| SMILES | C=NC(=O)CCC |
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| InChI | InChI=1S/C5H9NO/c1-3-4-5(7)6-2/h2-4H2,1H3 |
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| InChIKey | NBRATBLEVWKSJI-UHFFFAOYSA-N |
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| XLogP | 1.01 |
|---|
| TPSA | 29.43 Ų |
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| H-Bond Donors | |
|---|
| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 7 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 99.13 |
| LogP ≤ 5 | 1.01 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-methylidenebutanamide?
The IUPAC name of N-methylidenebutanamide (CID 90694828) is N-methylidenebutanamide.
What is the SMILES notation for N-methylidenebutanamide?
The canonical SMILES for N-methylidenebutanamide is C=NC(=O)CCC.
What is the InChIKey of N-methylidenebutanamide?
The InChIKey is NBRATBLEVWKSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-3-4-5(7)6-2/h2-4H2,1H3.
What are the key properties of N-methylidenebutanamide?
N-methylidenebutanamide has a molecular weight of 99.13 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidenebutanamide is sourced from PubChem (CID 90694828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).