N',2-dicyano-N-ethenyl-N-methylethanimidamide

C7H8N4 — CID 21427127

IUPACN',2-dicyano-N-ethenyl-N-methylethanimidamide
SMILESC=CN(C)/C(CC#N)=N/C#N
InChIInChI=1S/C7H8N4/c1-3-11(2)7(4-5-8)10-6-9/h3H,1,4H2,2H3/b10-7+
InChIKeyFKTFQLURDJMLBX-JXMROGBWSA-N
MW148.17 g/mol
LogP0.85
Rot. Bonds2

About N',2-dicyano-N-ethenyl-N-methylethanimidamide

N',2-dicyano-N-ethenyl-N-methylethanimidamide (PubChem CID 21427127) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is N',2-dicyano-N-ethenyl-N-methylethanimidamide.

Molecular Properties

Compound NameN',2-dicyano-N-ethenyl-N-methylethanimidamide
PubChem CID21427127
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC NameN',2-dicyano-N-ethenyl-N-methylethanimidamide
SMILESC=CN(C)/C(CC#N)=N/C#N
InChIInChI=1S/C7H8N4/c1-3-11(2)7(4-5-8)10-6-9/h3H,1,4H2,2H3/b10-7+
InChIKeyFKTFQLURDJMLBX-JXMROGBWSA-N
XLogP0.85
TPSA63.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', '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 N',2-dicyano-N-ethenyl-N-methylethanimidamide?
The IUPAC name of N',2-dicyano-N-ethenyl-N-methylethanimidamide (CID 21427127) is N',2-dicyano-N-ethenyl-N-methylethanimidamide.
What is the SMILES notation for N',2-dicyano-N-ethenyl-N-methylethanimidamide?
The canonical SMILES for N',2-dicyano-N-ethenyl-N-methylethanimidamide is C=CN(C)/C(CC#N)=N/C#N.
What is the InChIKey of N',2-dicyano-N-ethenyl-N-methylethanimidamide?
The InChIKey is FKTFQLURDJMLBX-JXMROGBWSA-N. The full InChI is InChI=1S/C7H8N4/c1-3-11(2)7(4-5-8)10-6-9/h3H,1,4H2,2H3/b10-7+.
What are the key properties of N',2-dicyano-N-ethenyl-N-methylethanimidamide?
N',2-dicyano-N-ethenyl-N-methylethanimidamide has a molecular weight of 148.17 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dicyano-N-ethenyl-N-methylethanimidamide is sourced from PubChem (CID 21427127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).