About methyl N-(N,N'-dimethylcarbamimidoyl)carbamate
methyl N-(N,N'-dimethylcarbamimidoyl)carbamate (PubChem CID 59930242) has the molecular formula C5H11N3O2
and a molecular weight of 145.16 g/mol. Its IUPAC name is methyl N-(N,N'-dimethylcarbamimidoyl)carbamate.
Molecular Properties
| Compound Name | methyl N-(N,N'-dimethylcarbamimidoyl)carbamate |
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| PubChem CID | 59930242 |
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| Molecular Formula | C5H11N3O2 |
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| Molecular Weight | 145.16 g/mol |
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| Exact Mass | 145.09 |
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| IUPAC Name | methyl N-(N,N'-dimethylcarbamimidoyl)carbamate |
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| SMILES | C/N=C(\NC)NC(=O)OC |
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| InChI | InChI=1S/C5H11N3O2/c1-6-4(7-2)8-5(9)10-3/h1-3H3,(H2,6,7,8,9) |
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| InChIKey | HXCONSOYJHTNDN-UHFFFAOYSA-N |
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| XLogP | -0.45 |
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| TPSA | 62.72 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | |
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| Heavy Atoms | 10 |
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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 | 145.16 |
| LogP ≤ 5 | -0.45 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of methyl N-(N,N'-dimethylcarbamimidoyl)carbamate?
The IUPAC name of methyl N-(N,N'-dimethylcarbamimidoyl)carbamate (CID 59930242) is methyl N-(N,N'-dimethylcarbamimidoyl)carbamate.
What is the SMILES notation for methyl N-(N,N'-dimethylcarbamimidoyl)carbamate?
The canonical SMILES for methyl N-(N,N'-dimethylcarbamimidoyl)carbamate is C/N=C(\NC)NC(=O)OC.
What is the InChIKey of methyl N-(N,N'-dimethylcarbamimidoyl)carbamate?
The InChIKey is HXCONSOYJHTNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2/c1-6-4(7-2)8-5(9)10-3/h1-3H3,(H2,6,7,8,9).
What are the key properties of methyl N-(N,N'-dimethylcarbamimidoyl)carbamate?
methyl N-(N,N'-dimethylcarbamimidoyl)carbamate has a molecular weight of 145.16 g/mol, XLogP of -0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(N,N'-dimethylcarbamimidoyl)carbamate is sourced from PubChem (CID 59930242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).