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

C10H11ClN4 — CID 25147764

IUPAC2-[(E)-[(Z)-3-chloro-3-phenylprop-2-enylidene]amino]guanidine
SMILESNC(N)=N/N=C/C=C(\Cl)c1ccccc1
InChIInChI=1S/C10H11ClN4/c11-9(6-7-14-15-10(12)13)8-4-2-1-3-5-8/h1-7H,(H4,12,13,15)/b9-6-,14-7+
InChIKeySKTBDZTXCXMFAZ-WLZNRRLWSA-N
MW222.68 g/mol
LogP1.53
Rot. Bonds3

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

2-[(E)-[(Z)-3-chloro-3-phenylprop-2-enylidene]amino]guanidine (PubChem CID 25147764) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 2-[(E)-[(Z)-3-chloro-3-phenylprop-2-enylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(E)-[(Z)-3-chloro-3-phenylprop-2-enylidene]amino]guanidine
PubChem CID25147764
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name2-[(E)-[(Z)-3-chloro-3-phenylprop-2-enylidene]amino]guanidine
SMILESNC(N)=N/N=C/C=C(\Cl)c1ccccc1
InChIInChI=1S/C10H11ClN4/c11-9(6-7-14-15-10(12)13)8-4-2-1-3-5-8/h1-7H,(H4,12,13,15)/b9-6-,14-7+
InChIKeySKTBDZTXCXMFAZ-WLZNRRLWSA-N
XLogP1.53
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

Analyze 2-[(E)-[(Z)-3-chloro-3-phenylprop-2-enylidene]amino]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(Z)-3-chloro-3-phenylprop-2-enylidene]amino]guanidine?
The IUPAC name of 2-[(E)-[(Z)-3-chloro-3-phenylprop-2-enylidene]amino]guanidine (CID 25147764) is 2-[(E)-[(Z)-3-chloro-3-phenylprop-2-enylidene]amino]guanidine.
What is the SMILES notation for 2-[(E)-[(Z)-3-chloro-3-phenylprop-2-enylidene]amino]guanidine?
The canonical SMILES for 2-[(E)-[(Z)-3-chloro-3-phenylprop-2-enylidene]amino]guanidine is NC(N)=N/N=C/C=C(\Cl)c1ccccc1.
What is the InChIKey of 2-[(E)-[(Z)-3-chloro-3-phenylprop-2-enylidene]amino]guanidine?
The InChIKey is SKTBDZTXCXMFAZ-WLZNRRLWSA-N. The full InChI is InChI=1S/C10H11ClN4/c11-9(6-7-14-15-10(12)13)8-4-2-1-3-5-8/h1-7H,(H4,12,13,15)/b9-6-,14-7+.
What are the key properties of 2-[(E)-[(Z)-3-chloro-3-phenylprop-2-enylidene]amino]guanidine?
2-[(E)-[(Z)-3-chloro-3-phenylprop-2-enylidene]amino]guanidine has a molecular weight of 222.68 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(Z)-3-chloro-3-phenylprop-2-enylidene]amino]guanidine is sourced from PubChem (CID 25147764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).