N-ethenyl-N'-methylethanimidamide

C5H10N2 — CID 91237354

IUPACN-ethenyl-N'-methylethanimidamide
SMILESC=CN/C(C)=N/C
InChIInChI=1S/C5H10N2/c1-4-7-5(2)6-3/h4H,1H2,2-3H3,(H,6,7)
InChIKeyYXALCFXLFHCGQT-UHFFFAOYSA-N
MW98.15 g/mol
LogP0.77
Rot. Bonds1

About N-ethenyl-N'-methylethanimidamide

N-ethenyl-N'-methylethanimidamide (PubChem CID 91237354) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is N-ethenyl-N'-methylethanimidamide.

Molecular Properties

Compound NameN-ethenyl-N'-methylethanimidamide
PubChem CID91237354
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC NameN-ethenyl-N'-methylethanimidamide
SMILESC=CN/C(C)=N/C
InChIInChI=1S/C5H10N2/c1-4-7-5(2)6-3/h4H,1H2,2-3H3,(H,6,7)
InChIKeyYXALCFXLFHCGQT-UHFFFAOYSA-N
XLogP0.77
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-ethenyl-N'-methylethanimidamide?
The IUPAC name of N-ethenyl-N'-methylethanimidamide (CID 91237354) is N-ethenyl-N'-methylethanimidamide.
What is the SMILES notation for N-ethenyl-N'-methylethanimidamide?
The canonical SMILES for N-ethenyl-N'-methylethanimidamide is C=CN/C(C)=N/C.
What is the InChIKey of N-ethenyl-N'-methylethanimidamide?
The InChIKey is YXALCFXLFHCGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-4-7-5(2)6-3/h4H,1H2,2-3H3,(H,6,7).
What are the key properties of N-ethenyl-N'-methylethanimidamide?
N-ethenyl-N'-methylethanimidamide has a molecular weight of 98.15 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N'-methylethanimidamide is sourced from PubChem (CID 91237354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).