methyl N'-(1-cyclopropylethenyl)carbamimidate

C7H12N2O — CID 155009487

IUPACmethyl N'-(1-cyclopropylethenyl)carbamimidate
SMILESC=C(/N=C(/N)OC)C1CC1
InChIInChI=1S/C7H12N2O/c1-5(6-3-4-6)9-7(8)10-2/h6H,1,3-4H2,2H3,(H2,8,9)
InChIKeyAYBOXVIOWWEXGC-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.87
Rot. Bonds2

About methyl N'-(1-cyclopropylethenyl)carbamimidate

methyl N'-(1-cyclopropylethenyl)carbamimidate (PubChem CID 155009487) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is methyl N'-(1-cyclopropylethenyl)carbamimidate.

Molecular Properties

Compound Namemethyl N'-(1-cyclopropylethenyl)carbamimidate
PubChem CID155009487
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Namemethyl N'-(1-cyclopropylethenyl)carbamimidate
SMILESC=C(/N=C(/N)OC)C1CC1
InChIInChI=1S/C7H12N2O/c1-5(6-3-4-6)9-7(8)10-2/h6H,1,3-4H2,2H3,(H2,8,9)
InChIKeyAYBOXVIOWWEXGC-UHFFFAOYSA-N
XLogP0.87
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.87
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'-(1-cyclopropylethenyl)carbamimidate?
The IUPAC name of methyl N'-(1-cyclopropylethenyl)carbamimidate (CID 155009487) is methyl N'-(1-cyclopropylethenyl)carbamimidate.
What is the SMILES notation for methyl N'-(1-cyclopropylethenyl)carbamimidate?
The canonical SMILES for methyl N'-(1-cyclopropylethenyl)carbamimidate is C=C(/N=C(/N)OC)C1CC1.
What is the InChIKey of methyl N'-(1-cyclopropylethenyl)carbamimidate?
The InChIKey is AYBOXVIOWWEXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5(6-3-4-6)9-7(8)10-2/h6H,1,3-4H2,2H3,(H2,8,9).
What are the key properties of methyl N'-(1-cyclopropylethenyl)carbamimidate?
methyl N'-(1-cyclopropylethenyl)carbamimidate has a molecular weight of 140.19 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-(1-cyclopropylethenyl)carbamimidate is sourced from PubChem (CID 155009487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).