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

C11H13ClN4 — CID 25147765

IUPAC2-[(E)-[(Z)-3-chloro-2-methyl-3-phenylprop-2-enylidene]amino]guanidine
SMILESCC(/C=N/N=C(N)N)=C(/Cl)c1ccccc1
InChIInChI=1S/C11H13ClN4/c1-8(7-15-16-11(13)14)10(12)9-5-3-2-4-6-9/h2-7H,1H3,(H4,13,14,16)/b10-8-,15-7+
InChIKeyVCLKKKYMLVHJES-SRTZDBFQSA-N
MW236.71 g/mol
LogP1.92
Rot. Bonds3

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

2-[(E)-[(Z)-3-chloro-2-methyl-3-phenylprop-2-enylidene]amino]guanidine (PubChem CID 25147765) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 2-[(E)-[(Z)-3-chloro-2-methyl-3-phenylprop-2-enylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(E)-[(Z)-3-chloro-2-methyl-3-phenylprop-2-enylidene]amino]guanidine
PubChem CID25147765
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name2-[(E)-[(Z)-3-chloro-2-methyl-3-phenylprop-2-enylidene]amino]guanidine
SMILESCC(/C=N/N=C(N)N)=C(/Cl)c1ccccc1
InChIInChI=1S/C11H13ClN4/c1-8(7-15-16-11(13)14)10(12)9-5-3-2-4-6-9/h2-7H,1H3,(H4,13,14,16)/b10-8-,15-7+
InChIKeyVCLKKKYMLVHJES-SRTZDBFQSA-N
XLogP1.92
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 51.92
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'}

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Related Compounds

N'-[[(Z)-3-chloro-2-methylprop-2-enylidene]amino]benzenecarboximidamide
CID 129438137
[(1Z,3E)-1-chloro-2-methyl-4-phenylbuta-1,3-dienyl]benzene
CID 11680420
N'-(benzhydrylideneamino)ethanimidamide
CID 11128320
2-[(2-bromo-3-phenylprop-2-enylidene)amino]guanidine
CID 2858290
2-[(E)-benzylideneamino]guanidine;hydrobromide
CID 75485430
acetyl chloride;benzamide
CID 160666659
N'-[(Z)-ethylideneamino]benzenecarboximidamide
CID 23272286
(NZ)-N-[(E)-3-chloro-3-[4-(2-fluorophenyl)phenyl]-2-methylprop-2-enylidene]hydroxylamine
CID 6933447
[(Z)-1-chloro-2-iodo-2-phenylethenyl]benzene
CID 12555898
(NE,E)-N-[chloro(phenyl)methylidene]benzenecarbohydrazonoyl chloride
CID 6141172
CID 127025281
CID 127025281
acetic acid;2-[(2,3-difluorophenyl)methylideneamino]guanidine
CID 66841721

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(Z)-3-chloro-2-methyl-3-phenylprop-2-enylidene]amino]guanidine?
The IUPAC name of 2-[(E)-[(Z)-3-chloro-2-methyl-3-phenylprop-2-enylidene]amino]guanidine (CID 25147765) is 2-[(E)-[(Z)-3-chloro-2-methyl-3-phenylprop-2-enylidene]amino]guanidine.
What is the SMILES notation for 2-[(E)-[(Z)-3-chloro-2-methyl-3-phenylprop-2-enylidene]amino]guanidine?
The canonical SMILES for 2-[(E)-[(Z)-3-chloro-2-methyl-3-phenylprop-2-enylidene]amino]guanidine is CC(/C=N/N=C(N)N)=C(/Cl)c1ccccc1.
What is the InChIKey of 2-[(E)-[(Z)-3-chloro-2-methyl-3-phenylprop-2-enylidene]amino]guanidine?
The InChIKey is VCLKKKYMLVHJES-SRTZDBFQSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-8(7-15-16-11(13)14)10(12)9-5-3-2-4-6-9/h2-7H,1H3,(H4,13,14,16)/b10-8-,15-7+.
What are the key properties of 2-[(E)-[(Z)-3-chloro-2-methyl-3-phenylprop-2-enylidene]amino]guanidine?
2-[(E)-[(Z)-3-chloro-2-methyl-3-phenylprop-2-enylidene]amino]guanidine has a molecular weight of 236.71 g/mol, XLogP of 1.92, 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-2-methyl-3-phenylprop-2-enylidene]amino]guanidine is sourced from PubChem (CID 25147765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).