methyl N-carbamoylmethanimidate

C3H6N2O2 — CID 57288886

IUPACmethyl N-carbamoylmethanimidate
SMILESCOC=NC(N)=O
InChIInChI=1S/C3H6N2O2/c1-7-2-5-3(4)6/h2H,1H3,(H2,4,6)
InChIKeyBDYKWIDMUHYSDV-UHFFFAOYSA-N
MW102.09 g/mol
LogP-0.26
Rot. Bonds1

About methyl N-carbamoylmethanimidate

methyl N-carbamoylmethanimidate (PubChem CID 57288886) has the molecular formula C3H6N2O2 and a molecular weight of 102.09 g/mol. Its IUPAC name is methyl N-carbamoylmethanimidate.

Molecular Properties

Compound Namemethyl N-carbamoylmethanimidate
PubChem CID57288886
Molecular FormulaC3H6N2O2
Molecular Weight102.09 g/mol
Exact Mass102.04
IUPAC Namemethyl N-carbamoylmethanimidate
SMILESCOC=NC(N)=O
InChIInChI=1S/C3H6N2O2/c1-7-2-5-3(4)6/h2H,1H3,(H2,4,6)
InChIKeyBDYKWIDMUHYSDV-UHFFFAOYSA-N
XLogP-0.26
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-carbamoylmethanimidate?
The IUPAC name of methyl N-carbamoylmethanimidate (CID 57288886) is methyl N-carbamoylmethanimidate.
What is the SMILES notation for methyl N-carbamoylmethanimidate?
The canonical SMILES for methyl N-carbamoylmethanimidate is COC=NC(N)=O.
What is the InChIKey of methyl N-carbamoylmethanimidate?
The InChIKey is BDYKWIDMUHYSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O2/c1-7-2-5-3(4)6/h2H,1H3,(H2,4,6).
What are the key properties of methyl N-carbamoylmethanimidate?
methyl N-carbamoylmethanimidate has a molecular weight of 102.09 g/mol, XLogP of -0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-carbamoylmethanimidate is sourced from PubChem (CID 57288886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).