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

C10H13ClN4 — CID 71717118

IUPAC2-[(E)-[(E)-3-phenylprop-2-enylidene]amino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C/C=C/c1ccccc1
InChIInChI=1S/C10H12N4.ClH/c11-10(12)14-13-8-4-7-9-5-2-1-3-6-9;/h1-8H,(H4,11,12,14);1H/b7-4+,13-8+;
InChIKeyNMKNGVUCUIUOAY-HRXXOVJOSA-N
MW224.70 g/mol
LogP1.38
Rot. Bonds3

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

2-[(E)-[(E)-3-phenylprop-2-enylidene]amino]guanidine;hydrochloride (PubChem CID 71717118) has the molecular formula C10H13ClN4 and a molecular weight of 224.70 g/mol. Its IUPAC name is 2-[(E)-[(E)-3-phenylprop-2-enylidene]amino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(E)-[(E)-3-phenylprop-2-enylidene]amino]guanidine;hydrochloride
PubChem CID71717118
Molecular FormulaC10H13ClN4
Molecular Weight224.70 g/mol
Exact Mass224.08
IUPAC Name2-[(E)-[(E)-3-phenylprop-2-enylidene]amino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C/C=C/c1ccccc1
InChIInChI=1S/C10H12N4.ClH/c11-10(12)14-13-8-4-7-9-5-2-1-3-6-9;/h1-8H,(H4,11,12,14);1H/b7-4+,13-8+;
InChIKeyNMKNGVUCUIUOAY-HRXXOVJOSA-N
XLogP1.38
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.70
LogP ≤ 51.38
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-[(E)-[(E)-3-phenylprop-2-enylidene]amino]guanidine;hydrochloride?
The IUPAC name of 2-[(E)-[(E)-3-phenylprop-2-enylidene]amino]guanidine;hydrochloride (CID 71717118) is 2-[(E)-[(E)-3-phenylprop-2-enylidene]amino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(E)-[(E)-3-phenylprop-2-enylidene]amino]guanidine;hydrochloride?
The canonical SMILES for 2-[(E)-[(E)-3-phenylprop-2-enylidene]amino]guanidine;hydrochloride is Cl.NC(N)=N/N=C/C=C/c1ccccc1.
What is the InChIKey of 2-[(E)-[(E)-3-phenylprop-2-enylidene]amino]guanidine;hydrochloride?
The InChIKey is NMKNGVUCUIUOAY-HRXXOVJOSA-N. The full InChI is InChI=1S/C10H12N4.ClH/c11-10(12)14-13-8-4-7-9-5-2-1-3-6-9;/h1-8H,(H4,11,12,14);1H/b7-4+,13-8+;.
What are the key properties of 2-[(E)-[(E)-3-phenylprop-2-enylidene]amino]guanidine;hydrochloride?
2-[(E)-[(E)-3-phenylprop-2-enylidene]amino]guanidine;hydrochloride has a molecular weight of 224.70 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(E)-3-phenylprop-2-enylidene]amino]guanidine;hydrochloride is sourced from PubChem (CID 71717118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).