2-ethyl-N-methylbenzenecarboximidoyl cyanide

C11H12N2 — CID 18713745

IUPAC2-ethyl-N-methylbenzenecarboximidoyl cyanide
SMILESCCc1ccccc1/C(C#N)=N/C
InChIInChI=1S/C11H12N2/c1-3-9-6-4-5-7-10(9)11(8-12)13-2/h4-7H,3H2,1-2H3/b13-11+
InChIKeySBRLGAYCDFZGKW-ACCUITESSA-N
MW172.23 g/mol
LogP2.19
Rot. Bonds2

About 2-ethyl-N-methylbenzenecarboximidoyl cyanide

2-ethyl-N-methylbenzenecarboximidoyl cyanide (PubChem CID 18713745) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-ethyl-N-methylbenzenecarboximidoyl cyanide.

Molecular Properties

Compound Name2-ethyl-N-methylbenzenecarboximidoyl cyanide
PubChem CID18713745
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name2-ethyl-N-methylbenzenecarboximidoyl cyanide
SMILESCCc1ccccc1/C(C#N)=N/C
InChIInChI=1S/C11H12N2/c1-3-9-6-4-5-7-10(9)11(8-12)13-2/h4-7H,3H2,1-2H3/b13-11+
InChIKeySBRLGAYCDFZGKW-ACCUITESSA-N
XLogP2.19
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methylbenzenecarboximidoyl cyanide?
The IUPAC name of 2-ethyl-N-methylbenzenecarboximidoyl cyanide (CID 18713745) is 2-ethyl-N-methylbenzenecarboximidoyl cyanide.
What is the SMILES notation for 2-ethyl-N-methylbenzenecarboximidoyl cyanide?
The canonical SMILES for 2-ethyl-N-methylbenzenecarboximidoyl cyanide is CCc1ccccc1/C(C#N)=N/C.
What is the InChIKey of 2-ethyl-N-methylbenzenecarboximidoyl cyanide?
The InChIKey is SBRLGAYCDFZGKW-ACCUITESSA-N. The full InChI is InChI=1S/C11H12N2/c1-3-9-6-4-5-7-10(9)11(8-12)13-2/h4-7H,3H2,1-2H3/b13-11+.
What are the key properties of 2-ethyl-N-methylbenzenecarboximidoyl cyanide?
2-ethyl-N-methylbenzenecarboximidoyl cyanide has a molecular weight of 172.23 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methylbenzenecarboximidoyl cyanide is sourced from PubChem (CID 18713745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).