2-[(E)-(4-methoxyphenyl)methylideneamino]guanidine

C9H12N4O — CID 5343661

IUPAC2-[(E)-(4-methoxyphenyl)methylideneamino]guanidine
SMILESCOc1ccc(/C=N/N=C(N)N)cc1
InChIInChI=1S/C9H12N4O/c1-14-8-4-2-7(3-5-8)6-12-13-9(10)11/h2-6H,1H3,(H4,10,11,13)/b12-6+
InChIKeyKBAGVDXUQHVTTE-WUXMJOGZSA-N
MW192.22 g/mol
LogP0.30
Rot. Bonds3

About 2-[(E)-(4-methoxyphenyl)methylideneamino]guanidine

2-[(E)-(4-methoxyphenyl)methylideneamino]guanidine (PubChem CID 5343661) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-[(E)-(4-methoxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-(4-methoxyphenyl)methylideneamino]guanidine
PubChem CID5343661
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2-[(E)-(4-methoxyphenyl)methylideneamino]guanidine
SMILESCOc1ccc(/C=N/N=C(N)N)cc1
InChIInChI=1S/C9H12N4O/c1-14-8-4-2-7(3-5-8)6-12-13-9(10)11/h2-6H,1H3,(H4,10,11,13)/b12-6+
InChIKeyKBAGVDXUQHVTTE-WUXMJOGZSA-N
XLogP0.30
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(4-methoxyphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(E)-(4-methoxyphenyl)methylideneamino]guanidine (CID 5343661) is 2-[(E)-(4-methoxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-(4-methoxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-(4-methoxyphenyl)methylideneamino]guanidine is COc1ccc(/C=N/N=C(N)N)cc1.
What is the InChIKey of 2-[(E)-(4-methoxyphenyl)methylideneamino]guanidine?
The InChIKey is KBAGVDXUQHVTTE-WUXMJOGZSA-N. The full InChI is InChI=1S/C9H12N4O/c1-14-8-4-2-7(3-5-8)6-12-13-9(10)11/h2-6H,1H3,(H4,10,11,13)/b12-6+.
What are the key properties of 2-[(E)-(4-methoxyphenyl)methylideneamino]guanidine?
2-[(E)-(4-methoxyphenyl)methylideneamino]guanidine has a molecular weight of 192.22 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(4-methoxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 5343661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).