2-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]guanidine

C10H12N4 — CID 5357514

IUPAC2-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]guanidine
SMILESNC(N)=N/N=C\C=C\c1ccccc1
InChIInChI=1S/C10H12N4/c11-10(12)14-13-8-4-7-9-5-2-1-3-6-9/h1-8H,(H4,11,12,14)/b7-4+,13-8-
InChIKeyZIXIIJQSFSAZOL-XOHVCTMJSA-N
MW188.23 g/mol
LogP0.96
Rot. Bonds3

About 2-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]guanidine

2-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]guanidine (PubChem CID 5357514) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]guanidine
PubChem CID5357514
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name2-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]guanidine
SMILESNC(N)=N/N=C\C=C\c1ccccc1
InChIInChI=1S/C10H12N4/c11-10(12)14-13-8-4-7-9-5-2-1-3-6-9/h1-8H,(H4,11,12,14)/b7-4+,13-8-
InChIKeyZIXIIJQSFSAZOL-XOHVCTMJSA-N
XLogP0.96
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_imine_B(3)', 'substructure': 'N/A'}, {'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-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]guanidine?
The IUPAC name of 2-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]guanidine (CID 5357514) is 2-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]guanidine.
What is the SMILES notation for 2-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]guanidine?
The canonical SMILES for 2-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]guanidine is NC(N)=N/N=C\C=C\c1ccccc1.
What is the InChIKey of 2-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]guanidine?
The InChIKey is ZIXIIJQSFSAZOL-XOHVCTMJSA-N. The full InChI is InChI=1S/C10H12N4/c11-10(12)14-13-8-4-7-9-5-2-1-3-6-9/h1-8H,(H4,11,12,14)/b7-4+,13-8-.
What are the key properties of 2-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]guanidine?
2-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]guanidine has a molecular weight of 188.23 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]guanidine is sourced from PubChem (CID 5357514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).