methyl N-benzoylcarbamimidate

C9H10N2O2 — CID 150009425

IUPACmethyl N-benzoylcarbamimidate
SMILES[H]/N=C(/NC(=O)c1ccccc1)OC
InChIInChI=1S/C9H10N2O2/c1-13-9(10)11-8(12)7-5-3-2-4-6-7/h2-6H,1H3,(H2,10,11,12)
InChIKeyZAHKMTIMJPQHLA-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.00
Rot. Bonds1

About methyl N-benzoylcarbamimidate

methyl N-benzoylcarbamimidate (PubChem CID 150009425) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is methyl N-benzoylcarbamimidate.

Molecular Properties

Compound Namemethyl N-benzoylcarbamimidate
PubChem CID150009425
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Namemethyl N-benzoylcarbamimidate
SMILES[H]/N=C(/NC(=O)c1ccccc1)OC
InChIInChI=1S/C9H10N2O2/c1-13-9(10)11-8(12)7-5-3-2-4-6-7/h2-6H,1H3,(H2,10,11,12)
InChIKeyZAHKMTIMJPQHLA-UHFFFAOYSA-N
XLogP1.00
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.00
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 methyl N-benzoylcarbamimidate?
The IUPAC name of methyl N-benzoylcarbamimidate (CID 150009425) is methyl N-benzoylcarbamimidate.
What is the SMILES notation for methyl N-benzoylcarbamimidate?
The canonical SMILES for methyl N-benzoylcarbamimidate is [H]/N=C(/NC(=O)c1ccccc1)OC.
What is the InChIKey of methyl N-benzoylcarbamimidate?
The InChIKey is ZAHKMTIMJPQHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-13-9(10)11-8(12)7-5-3-2-4-6-7/h2-6H,1H3,(H2,10,11,12).
What are the key properties of methyl N-benzoylcarbamimidate?
methyl N-benzoylcarbamimidate has a molecular weight of 178.19 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-benzoylcarbamimidate is sourced from PubChem (CID 150009425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).