2-(2-aminoethenyl)benzenecarboximidamide

C9H11N3 — CID 70572604

IUPAC2-(2-aminoethenyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1C=CN
InChIInChI=1S/C9H11N3/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-6H,10H2,(H3,11,12)
InChIKeyFNZLRXNYCSUPFY-UHFFFAOYSA-N
MW161.21 g/mol
LogP0.90
Rot. Bonds2

About 2-(2-aminoethenyl)benzenecarboximidamide

2-(2-aminoethenyl)benzenecarboximidamide (PubChem CID 70572604) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 2-(2-aminoethenyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-(2-aminoethenyl)benzenecarboximidamide
PubChem CID70572604
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name2-(2-aminoethenyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1C=CN
InChIInChI=1S/C9H11N3/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-6H,10H2,(H3,11,12)
InChIKeyFNZLRXNYCSUPFY-UHFFFAOYSA-N
XLogP0.90
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-azidoprop-1-enyl)benzenecarboximidamide
CID 169461706
biphenylene-1,8-dicarboximidamide
CID 71696896
2-prop-1-en-2-ylbenzenecarboximidamide
CID 147713579
benzenecarboximidamide;sulfane
CID 172701796
2-(trifluoromethyl)benzenecarboximidamide
CID 3266509
benzenecarboximidamide;hydron;chloride
CID 66824376
2-(trifluoromethyl)benzenecarboximidamide;hydrochloride
CID 42614308
2-[5-(2-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide
CID 19362129
2-(2-carbamimidoyl-N-diazenylanilino)benzenecarboximidamide
CID 163938469
1-formylnaphthalene-2-carboximidamide
CID 54198572
2-prop-2-enoxybenzenecarboximidamide;hydrochloride
CID 22462384
2-(4-formylphenyl)benzenecarboximidamide
CID 89125419

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethenyl)benzenecarboximidamide?
The IUPAC name of 2-(2-aminoethenyl)benzenecarboximidamide (CID 70572604) is 2-(2-aminoethenyl)benzenecarboximidamide.
What is the SMILES notation for 2-(2-aminoethenyl)benzenecarboximidamide?
The canonical SMILES for 2-(2-aminoethenyl)benzenecarboximidamide is [H]/N=C(\N)c1ccccc1C=CN.
What is the InChIKey of 2-(2-aminoethenyl)benzenecarboximidamide?
The InChIKey is FNZLRXNYCSUPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-6H,10H2,(H3,11,12).
What are the key properties of 2-(2-aminoethenyl)benzenecarboximidamide?
2-(2-aminoethenyl)benzenecarboximidamide has a molecular weight of 161.21 g/mol, XLogP of 0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethenyl)benzenecarboximidamide is sourced from PubChem (CID 70572604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).