2-amino-4,5-dimethoxybenzenecarboximidoyl cyanide

C10H11N3O2 — CID 123755220

IUPAC2-amino-4,5-dimethoxybenzenecarboximidoyl cyanide
SMILES[H]/N=C(\C#N)c1cc(OC)c(OC)cc1N
InChIInChI=1S/C10H11N3O2/c1-14-9-3-6(8(13)5-11)7(12)4-10(9)15-2/h3-4,13H,12H2,1-2H3/b13-8+
InChIKeyOMILWRBWFWHXEO-MDWZMJQESA-N
MW205.22 g/mol
LogP1.18
Rot. Bonds3

About 2-amino-4,5-dimethoxybenzenecarboximidoyl cyanide

2-amino-4,5-dimethoxybenzenecarboximidoyl cyanide (PubChem CID 123755220) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-amino-4,5-dimethoxybenzenecarboximidoyl cyanide.

Molecular Properties

Compound Name2-amino-4,5-dimethoxybenzenecarboximidoyl cyanide
PubChem CID123755220
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name2-amino-4,5-dimethoxybenzenecarboximidoyl cyanide
SMILES[H]/N=C(\C#N)c1cc(OC)c(OC)cc1N
InChIInChI=1S/C10H11N3O2/c1-14-9-3-6(8(13)5-11)7(12)4-10(9)15-2/h3-4,13H,12H2,1-2H3/b13-8+
InChIKeyOMILWRBWFWHXEO-MDWZMJQESA-N
XLogP1.18
TPSA92.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dimethoxybenzenecarboximidoyl cyanide?
The IUPAC name of 2-amino-4,5-dimethoxybenzenecarboximidoyl cyanide (CID 123755220) is 2-amino-4,5-dimethoxybenzenecarboximidoyl cyanide.
What is the SMILES notation for 2-amino-4,5-dimethoxybenzenecarboximidoyl cyanide?
The canonical SMILES for 2-amino-4,5-dimethoxybenzenecarboximidoyl cyanide is [H]/N=C(\C#N)c1cc(OC)c(OC)cc1N.
What is the InChIKey of 2-amino-4,5-dimethoxybenzenecarboximidoyl cyanide?
The InChIKey is OMILWRBWFWHXEO-MDWZMJQESA-N. The full InChI is InChI=1S/C10H11N3O2/c1-14-9-3-6(8(13)5-11)7(12)4-10(9)15-2/h3-4,13H,12H2,1-2H3/b13-8+.
What are the key properties of 2-amino-4,5-dimethoxybenzenecarboximidoyl cyanide?
2-amino-4,5-dimethoxybenzenecarboximidoyl cyanide has a molecular weight of 205.22 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dimethoxybenzenecarboximidoyl cyanide is sourced from PubChem (CID 123755220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).