3-amino-N-methoxybenzenecarboximidoyl cyanide

C9H9N3O — CID 57211615

IUPAC3-amino-N-methoxybenzenecarboximidoyl cyanide
SMILESCON=C(C#N)c1cccc(N)c1
InChIInChI=1S/C9H9N3O/c1-13-12-9(6-10)7-3-2-4-8(11)5-7/h2-5H,11H2,1H3
InChIKeyHOHAECGZXNZQAU-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.14
Rot. Bonds2

About 3-amino-N-methoxybenzenecarboximidoyl cyanide

3-amino-N-methoxybenzenecarboximidoyl cyanide (PubChem CID 57211615) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-amino-N-methoxybenzenecarboximidoyl cyanide.

Molecular Properties

Compound Name3-amino-N-methoxybenzenecarboximidoyl cyanide
PubChem CID57211615
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name3-amino-N-methoxybenzenecarboximidoyl cyanide
SMILESCON=C(C#N)c1cccc(N)c1
InChIInChI=1S/C9H9N3O/c1-13-12-9(6-10)7-3-2-4-8(11)5-7/h2-5H,11H2,1H3
InChIKeyHOHAECGZXNZQAU-UHFFFAOYSA-N
XLogP1.14
TPSA71.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-N-methoxy-C-methylcarbonimidoyl]aniline
CID 83525120
N-methoxypyridine-4-carboximidoyl cyanide
CID 54520311
4-[4-(C-cyano-N-methoxycarbonimidoyl)phenyl]sulfanyl-N-methoxybenzenecarboximidoyl cyanide
CID 59115190
3-(1-methoxyethenyl)aniline
CID 89340134
[(Z)-[cyano-(3-fluorophenyl)methylidene]amino] methanesulfonate
CID 134123499
N-methoxy-2-sulfamoylbenzenecarboximidoyl cyanide
CID 54015360
[[cyano-[3-(C-cyano-N-hydroxycarbonimidoyl)phenyl]methylidene]amino] butane-1-sulfonate
CID 89317544
2-cyanoethyl 3-aminobenzoate
CID 163381555
3-aminobenzoic acid;prop-1-yne
CID 88718779
benzene-1,3-diamine;hydrate
CID 133188498
4-[3-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 87761682
[[cyano-[3-(C-cyano-N-hydroxycarbonimidoyl)phenyl]methylidene]amino] trifluoromethanesulfonate
CID 89317538

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methoxybenzenecarboximidoyl cyanide?
The IUPAC name of 3-amino-N-methoxybenzenecarboximidoyl cyanide (CID 57211615) is 3-amino-N-methoxybenzenecarboximidoyl cyanide.
What is the SMILES notation for 3-amino-N-methoxybenzenecarboximidoyl cyanide?
The canonical SMILES for 3-amino-N-methoxybenzenecarboximidoyl cyanide is CON=C(C#N)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-methoxybenzenecarboximidoyl cyanide?
The InChIKey is HOHAECGZXNZQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-13-12-9(6-10)7-3-2-4-8(11)5-7/h2-5H,11H2,1H3.
What are the key properties of 3-amino-N-methoxybenzenecarboximidoyl cyanide?
3-amino-N-methoxybenzenecarboximidoyl cyanide has a molecular weight of 175.19 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methoxybenzenecarboximidoyl cyanide is sourced from PubChem (CID 57211615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).