methyl N-(N-acetyl-N'-methylcarbamimidoyl)methanimidate

C6H11N3O2 — CID 72648246

IUPACmethyl N-(N-acetyl-N'-methylcarbamimidoyl)methanimidate
SMILESC/N=C(\N=COC)NC(C)=O
InChIInChI=1S/C6H11N3O2/c1-5(10)9-6(7-2)8-4-11-3/h4H,1-3H3,(H,7,9,10)
InChIKeyVAQOIDCCOXFHOJ-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.22
Rot. Bonds1

About methyl N-(N-acetyl-N'-methylcarbamimidoyl)methanimidate

methyl N-(N-acetyl-N'-methylcarbamimidoyl)methanimidate (PubChem CID 72648246) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is methyl N-(N-acetyl-N'-methylcarbamimidoyl)methanimidate.

Molecular Properties

Compound Namemethyl N-(N-acetyl-N'-methylcarbamimidoyl)methanimidate
PubChem CID72648246
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Namemethyl N-(N-acetyl-N'-methylcarbamimidoyl)methanimidate
SMILESC/N=C(\N=COC)NC(C)=O
InChIInChI=1S/C6H11N3O2/c1-5(10)9-6(7-2)8-4-11-3/h4H,1-3H3,(H,7,9,10)
InChIKeyVAQOIDCCOXFHOJ-UHFFFAOYSA-N
XLogP-0.22
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-acetyl-N'-methylcarbamimidoyl)methanimidate?
The IUPAC name of methyl N-(N-acetyl-N'-methylcarbamimidoyl)methanimidate (CID 72648246) is methyl N-(N-acetyl-N'-methylcarbamimidoyl)methanimidate.
What is the SMILES notation for methyl N-(N-acetyl-N'-methylcarbamimidoyl)methanimidate?
The canonical SMILES for methyl N-(N-acetyl-N'-methylcarbamimidoyl)methanimidate is C/N=C(\N=COC)NC(C)=O.
What is the InChIKey of methyl N-(N-acetyl-N'-methylcarbamimidoyl)methanimidate?
The InChIKey is VAQOIDCCOXFHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-5(10)9-6(7-2)8-4-11-3/h4H,1-3H3,(H,7,9,10).
What are the key properties of methyl N-(N-acetyl-N'-methylcarbamimidoyl)methanimidate?
methyl N-(N-acetyl-N'-methylcarbamimidoyl)methanimidate has a molecular weight of 157.17 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(N-acetyl-N'-methylcarbamimidoyl)methanimidate is sourced from PubChem (CID 72648246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).