2-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]guanidine

C12H14N4O — CID 8825933

IUPAC2-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]guanidine
SMILESCCc1oc2ccccc2c1/C=N\N=C(N)N
InChIInChI=1S/C12H14N4O/c1-2-10-9(7-15-16-12(13)14)8-5-3-4-6-11(8)17-10/h3-7H,2H2,1H3,(H4,13,14,16)/b15-7-
InChIKeyHCSZYDAVWIBKPV-CHHVJCJISA-N
MW230.27 g/mol
LogP1.60
Rot. Bonds3

About 2-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]guanidine

2-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]guanidine (PubChem CID 8825933) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]guanidine
PubChem CID8825933
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]guanidine
SMILESCCc1oc2ccccc2c1/C=N\N=C(N)N
InChIInChI=1S/C12H14N4O/c1-2-10-9(7-15-16-12(13)14)8-5-3-4-6-11(8)17-10/h3-7H,2H2,1H3,(H4,13,14,16)/b15-7-
InChIKeyHCSZYDAVWIBKPV-CHHVJCJISA-N
XLogP1.60
TPSA89.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.60
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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Related Compounds

N-[(2-ethyl-1-benzofuran-3-yl)methylidene]hydroxylamine
CID 57355898
(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide
CID 47120041
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]acetamide
CID 8826088
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-fluorobenzamide
CID 8825899
2-[(2-ethyl-1-benzofuran-3-yl)methylideneamino]isoindole-1,3-dione
CID 23376129
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-4-methylaniline
CID 8825966
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]pyridine-4-carboxamide
CID 8825879
2-ethyl-N'-hydroxy-1-benzofuran-3-carboximidamide
CID 57368784
2-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]guanidine
CID 71670095
N-cyclopropyl-N'-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]oxamide
CID 8865346
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-2-nitroaniline
CID 8825958
2-[(2,6-dimethylphenyl)methylideneamino]guanidine
CID 72725816

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]guanidine?
The IUPAC name of 2-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]guanidine (CID 8825933) is 2-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]guanidine?
The canonical SMILES for 2-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]guanidine is CCc1oc2ccccc2c1/C=N\N=C(N)N.
What is the InChIKey of 2-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]guanidine?
The InChIKey is HCSZYDAVWIBKPV-CHHVJCJISA-N. The full InChI is InChI=1S/C12H14N4O/c1-2-10-9(7-15-16-12(13)14)8-5-3-4-6-11(8)17-10/h3-7H,2H2,1H3,(H4,13,14,16)/b15-7-.
What are the key properties of 2-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]guanidine?
2-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]guanidine has a molecular weight of 230.27 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]guanidine is sourced from PubChem (CID 8825933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).