(Z)-2-cyano-N'-methylbut-2-enimidamide

C6H9N3 — CID 144543745

IUPAC(Z)-2-cyano-N'-methylbut-2-enimidamide
SMILESC/C=C(C#N)\C(N)=N\C
InChIInChI=1S/C6H9N3/c1-3-5(4-7)6(8)9-2/h3H,1-2H3,(H2,8,9)/b5-3-
InChIKeyBQLBEBKSMDTJOW-HYXAFXHYSA-N
MW123.16 g/mol
LogP0.44
Rot. Bonds1

About (Z)-2-cyano-N'-methylbut-2-enimidamide

(Z)-2-cyano-N'-methylbut-2-enimidamide (PubChem CID 144543745) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is (Z)-2-cyano-N'-methylbut-2-enimidamide.

Molecular Properties

Compound Name(Z)-2-cyano-N'-methylbut-2-enimidamide
PubChem CID144543745
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name(Z)-2-cyano-N'-methylbut-2-enimidamide
SMILESC/C=C(C#N)\C(N)=N\C
InChIInChI=1S/C6H9N3/c1-3-5(4-7)6(8)9-2/h3H,1-2H3,(H2,8,9)/b5-3-
InChIKeyBQLBEBKSMDTJOW-HYXAFXHYSA-N
XLogP0.44
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'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 (Z)-2-cyano-N'-methylbut-2-enimidamide?
The IUPAC name of (Z)-2-cyano-N'-methylbut-2-enimidamide (CID 144543745) is (Z)-2-cyano-N'-methylbut-2-enimidamide.
What is the SMILES notation for (Z)-2-cyano-N'-methylbut-2-enimidamide?
The canonical SMILES for (Z)-2-cyano-N'-methylbut-2-enimidamide is C/C=C(C#N)\C(N)=N\C.
What is the InChIKey of (Z)-2-cyano-N'-methylbut-2-enimidamide?
The InChIKey is BQLBEBKSMDTJOW-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H9N3/c1-3-5(4-7)6(8)9-2/h3H,1-2H3,(H2,8,9)/b5-3-.
What are the key properties of (Z)-2-cyano-N'-methylbut-2-enimidamide?
(Z)-2-cyano-N'-methylbut-2-enimidamide has a molecular weight of 123.16 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N'-methylbut-2-enimidamide is sourced from PubChem (CID 144543745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).