2-cyano-N',3-dimethylbut-2-enimidamide

C7H11N3 — CID 123952684

IUPAC2-cyano-N',3-dimethylbut-2-enimidamide
SMILESC/N=C(\N)C(C#N)=C(C)C
InChIInChI=1S/C7H11N3/c1-5(2)6(4-8)7(9)10-3/h1-3H3,(H2,9,10)
InChIKeyNUMNJKDXIUQSJR-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.83
Rot. Bonds1

About 2-cyano-N',3-dimethylbut-2-enimidamide

2-cyano-N',3-dimethylbut-2-enimidamide (PubChem CID 123952684) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 2-cyano-N',3-dimethylbut-2-enimidamide.

Molecular Properties

Compound Name2-cyano-N',3-dimethylbut-2-enimidamide
PubChem CID123952684
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name2-cyano-N',3-dimethylbut-2-enimidamide
SMILESC/N=C(\N)C(C#N)=C(C)C
InChIInChI=1S/C7H11N3/c1-5(2)6(4-8)7(9)10-3/h1-3H3,(H2,9,10)
InChIKeyNUMNJKDXIUQSJR-UHFFFAOYSA-N
XLogP0.83
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.83
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 2-cyano-N',3-dimethylbut-2-enimidamide?
The IUPAC name of 2-cyano-N',3-dimethylbut-2-enimidamide (CID 123952684) is 2-cyano-N',3-dimethylbut-2-enimidamide.
What is the SMILES notation for 2-cyano-N',3-dimethylbut-2-enimidamide?
The canonical SMILES for 2-cyano-N',3-dimethylbut-2-enimidamide is C/N=C(\N)C(C#N)=C(C)C.
What is the InChIKey of 2-cyano-N',3-dimethylbut-2-enimidamide?
The InChIKey is NUMNJKDXIUQSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-5(2)6(4-8)7(9)10-3/h1-3H3,(H2,9,10).
What are the key properties of 2-cyano-N',3-dimethylbut-2-enimidamide?
2-cyano-N',3-dimethylbut-2-enimidamide has a molecular weight of 137.19 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N',3-dimethylbut-2-enimidamide is sourced from PubChem (CID 123952684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).