N'-ethenyl-2-methylidenebut-3-enimidamide

C7H10N2 — CID 138636758

IUPACN'-ethenyl-2-methylidenebut-3-enimidamide
SMILESC=C/N=C(\N)C(=C)C=C
InChIInChI=1S/C7H10N2/c1-4-6(3)7(8)9-5-2/h4-5H,1-3H2,(H2,8,9)
InChIKeyFKDMLHMXQFYILC-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.23
Rot. Bonds3

About N'-ethenyl-2-methylidenebut-3-enimidamide

N'-ethenyl-2-methylidenebut-3-enimidamide (PubChem CID 138636758) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is N'-ethenyl-2-methylidenebut-3-enimidamide.

Molecular Properties

Compound NameN'-ethenyl-2-methylidenebut-3-enimidamide
PubChem CID138636758
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC NameN'-ethenyl-2-methylidenebut-3-enimidamide
SMILESC=C/N=C(\N)C(=C)C=C
InChIInChI=1S/C7H10N2/c1-4-6(3)7(8)9-5-2/h4-5H,1-3H2,(H2,8,9)
InChIKeyFKDMLHMXQFYILC-UHFFFAOYSA-N
XLogP1.23
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.23
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-2-methylidenebut-3-enimidamide?
The IUPAC name of N'-ethenyl-2-methylidenebut-3-enimidamide (CID 138636758) is N'-ethenyl-2-methylidenebut-3-enimidamide.
What is the SMILES notation for N'-ethenyl-2-methylidenebut-3-enimidamide?
The canonical SMILES for N'-ethenyl-2-methylidenebut-3-enimidamide is C=C/N=C(\N)C(=C)C=C.
What is the InChIKey of N'-ethenyl-2-methylidenebut-3-enimidamide?
The InChIKey is FKDMLHMXQFYILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-4-6(3)7(8)9-5-2/h4-5H,1-3H2,(H2,8,9).
What are the key properties of N'-ethenyl-2-methylidenebut-3-enimidamide?
N'-ethenyl-2-methylidenebut-3-enimidamide has a molecular weight of 122.17 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-2-methylidenebut-3-enimidamide is sourced from PubChem (CID 138636758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).