(Z)-3-(ethenylamino)-N'-methylbut-2-enimidamide

C7H13N3 — CID 130436156

IUPAC(Z)-3-(ethenylamino)-N'-methylbut-2-enimidamide
SMILESC=CN/C(C)=C\C(N)=N\C
InChIInChI=1S/C7H13N3/c1-4-10-6(2)5-7(8)9-3/h4-5,10H,1H2,2-3H3,(H2,8,9)/b6-5-
InChIKeyLBMONFAABIKFGE-WAYWQWQTSA-N
MW139.20 g/mol
LogP0.61
Rot. Bonds3

About (Z)-3-(ethenylamino)-N'-methylbut-2-enimidamide

(Z)-3-(ethenylamino)-N'-methylbut-2-enimidamide (PubChem CID 130436156) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is (Z)-3-(ethenylamino)-N'-methylbut-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-(ethenylamino)-N'-methylbut-2-enimidamide
PubChem CID130436156
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name(Z)-3-(ethenylamino)-N'-methylbut-2-enimidamide
SMILESC=CN/C(C)=C\C(N)=N\C
InChIInChI=1S/C7H13N3/c1-4-10-6(2)5-7(8)9-3/h4-5,10H,1H2,2-3H3,(H2,8,9)/b6-5-
InChIKeyLBMONFAABIKFGE-WAYWQWQTSA-N
XLogP0.61
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (Z)-3-(ethenylamino)-N'-methylbut-2-enimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(ethenylamino)-N'-methylbut-2-enimidamide?
The IUPAC name of (Z)-3-(ethenylamino)-N'-methylbut-2-enimidamide (CID 130436156) is (Z)-3-(ethenylamino)-N'-methylbut-2-enimidamide.
What is the SMILES notation for (Z)-3-(ethenylamino)-N'-methylbut-2-enimidamide?
The canonical SMILES for (Z)-3-(ethenylamino)-N'-methylbut-2-enimidamide is C=CN/C(C)=C\C(N)=N\C.
What is the InChIKey of (Z)-3-(ethenylamino)-N'-methylbut-2-enimidamide?
The InChIKey is LBMONFAABIKFGE-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H13N3/c1-4-10-6(2)5-7(8)9-3/h4-5,10H,1H2,2-3H3,(H2,8,9)/b6-5-.
What are the key properties of (Z)-3-(ethenylamino)-N'-methylbut-2-enimidamide?
(Z)-3-(ethenylamino)-N'-methylbut-2-enimidamide has a molecular weight of 139.20 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(ethenylamino)-N'-methylbut-2-enimidamide is sourced from PubChem (CID 130436156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).