methylcarbamoyl methanimidate

C3H6N2O2 — CID 143430752

IUPACmethylcarbamoyl methanimidate
SMILES[H]/N=C/OC(=O)NC
InChIInChI=1S/C3H6N2O2/c1-5-3(6)7-2-4/h2,4H,1H3,(H,5,6)/b4-2+
InChIKeyQHFABKYAACUVFS-DUXPYHPUSA-N
MW102.09 g/mol
LogP-0.05
Rot. Bonds1

About methylcarbamoyl methanimidate

methylcarbamoyl methanimidate (PubChem CID 143430752) has the molecular formula C3H6N2O2 and a molecular weight of 102.09 g/mol. Its IUPAC name is methylcarbamoyl methanimidate.

Molecular Properties

Compound Namemethylcarbamoyl methanimidate
PubChem CID143430752
Molecular FormulaC3H6N2O2
Molecular Weight102.09 g/mol
Exact Mass102.04
IUPAC Namemethylcarbamoyl methanimidate
SMILES[H]/N=C/OC(=O)NC
InChIInChI=1S/C3H6N2O2/c1-5-3(6)7-2-4/h2,4H,1H3,(H,5,6)/b4-2+
InChIKeyQHFABKYAACUVFS-DUXPYHPUSA-N
XLogP-0.05
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
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 methylcarbamoyl methanimidate?
The IUPAC name of methylcarbamoyl methanimidate (CID 143430752) is methylcarbamoyl methanimidate.
What is the SMILES notation for methylcarbamoyl methanimidate?
The canonical SMILES for methylcarbamoyl methanimidate is [H]/N=C/OC(=O)NC.
What is the InChIKey of methylcarbamoyl methanimidate?
The InChIKey is QHFABKYAACUVFS-DUXPYHPUSA-N. The full InChI is InChI=1S/C3H6N2O2/c1-5-3(6)7-2-4/h2,4H,1H3,(H,5,6)/b4-2+.
What are the key properties of methylcarbamoyl methanimidate?
methylcarbamoyl methanimidate has a molecular weight of 102.09 g/mol, XLogP of -0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylcarbamoyl methanimidate is sourced from PubChem (CID 143430752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).