(Z)-N,2-bis(ethenyl)-N'-methylbut-2-enimidamide

C9H14N2 — CID 139376181

IUPAC(Z)-N,2-bis(ethenyl)-N'-methylbut-2-enimidamide
SMILESC=CNC(=N\C)/C(C=C)=C\C
InChIInChI=1S/C9H14N2/c1-5-8(6-2)9(10-4)11-7-3/h5-7H,1,3H2,2,4H3,(H,10,11)/b8-6-
InChIKeyZNQTYXUYQBWMMR-VURMDHGXSA-N
MW150.22 g/mol
LogP1.88
Rot. Bonds3

About (Z)-N,2-bis(ethenyl)-N'-methylbut-2-enimidamide

(Z)-N,2-bis(ethenyl)-N'-methylbut-2-enimidamide (PubChem CID 139376181) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (Z)-N,2-bis(ethenyl)-N'-methylbut-2-enimidamide.

Molecular Properties

Compound Name(Z)-N,2-bis(ethenyl)-N'-methylbut-2-enimidamide
PubChem CID139376181
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(Z)-N,2-bis(ethenyl)-N'-methylbut-2-enimidamide
SMILESC=CNC(=N\C)/C(C=C)=C\C
InChIInChI=1S/C9H14N2/c1-5-8(6-2)9(10-4)11-7-3/h5-7H,1,3H2,2,4H3,(H,10,11)/b8-6-
InChIKeyZNQTYXUYQBWMMR-VURMDHGXSA-N
XLogP1.88
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.88
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 (Z)-N,2-bis(ethenyl)-N'-methylbut-2-enimidamide?
The IUPAC name of (Z)-N,2-bis(ethenyl)-N'-methylbut-2-enimidamide (CID 139376181) is (Z)-N,2-bis(ethenyl)-N'-methylbut-2-enimidamide.
What is the SMILES notation for (Z)-N,2-bis(ethenyl)-N'-methylbut-2-enimidamide?
The canonical SMILES for (Z)-N,2-bis(ethenyl)-N'-methylbut-2-enimidamide is C=CNC(=N\C)/C(C=C)=C\C.
What is the InChIKey of (Z)-N,2-bis(ethenyl)-N'-methylbut-2-enimidamide?
The InChIKey is ZNQTYXUYQBWMMR-VURMDHGXSA-N. The full InChI is InChI=1S/C9H14N2/c1-5-8(6-2)9(10-4)11-7-3/h5-7H,1,3H2,2,4H3,(H,10,11)/b8-6-.
What are the key properties of (Z)-N,2-bis(ethenyl)-N'-methylbut-2-enimidamide?
(Z)-N,2-bis(ethenyl)-N'-methylbut-2-enimidamide has a molecular weight of 150.22 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,2-bis(ethenyl)-N'-methylbut-2-enimidamide is sourced from PubChem (CID 139376181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).