2-[(E)-[(Z)-4-(2-hydroxyphenyl)but-3-en-2-ylidene]amino]guanidine

C11H14N4O — CID 136811096

IUPAC2-[(E)-[(Z)-4-(2-hydroxyphenyl)but-3-en-2-ylidene]amino]guanidine
SMILESCC(/C=C\c1ccccc1O)=N\N=C(N)N
InChIInChI=1S/C11H14N4O/c1-8(14-15-11(12)13)6-7-9-4-2-3-5-10(9)16/h2-7,16H,1H3,(H4,12,13,15)/b7-6-,14-8+
InChIKeyLOZRYJJTPFMLME-BHWOWGIZSA-N
MW218.26 g/mol
LogP1.05
Rot. Bonds3

About 2-[(E)-[(Z)-4-(2-hydroxyphenyl)but-3-en-2-ylidene]amino]guanidine

2-[(E)-[(Z)-4-(2-hydroxyphenyl)but-3-en-2-ylidene]amino]guanidine (PubChem CID 136811096) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[(E)-[(Z)-4-(2-hydroxyphenyl)but-3-en-2-ylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(E)-[(Z)-4-(2-hydroxyphenyl)but-3-en-2-ylidene]amino]guanidine
PubChem CID136811096
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-[(E)-[(Z)-4-(2-hydroxyphenyl)but-3-en-2-ylidene]amino]guanidine
SMILESCC(/C=C\c1ccccc1O)=N\N=C(N)N
InChIInChI=1S/C11H14N4O/c1-8(14-15-11(12)13)6-7-9-4-2-3-5-10(9)16/h2-7,16H,1H3,(H4,12,13,15)/b7-6-,14-8+
InChIKeyLOZRYJJTPFMLME-BHWOWGIZSA-N
XLogP1.05
TPSA96.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.05
H-Bond Donors ≤ 53
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

(E)-4-(2-hydroxyphenyl)but-3-en-2-one
CID 5356585
2-[(E)-[(E)-1-[2-(2-acetylhydrazinyl)-4-methyl-1,3-thiazol-5-yl]-3-(2-hydroxyphenyl)prop-2-enylidene]amino]guanidine
CID 135499276
(1Z,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one
CID 6436784
2-[(E,3E)-3-(propan-2-ylidenehydrazinylidene)hex-1-enyl]phenol
CID 142029168
1-(2-hydroxyphenyl)-4-methylpenta-1,4-dien-3-one
CID 154111061
(Z)-3-(2-hydroxyphenyl)prop-2-enoic acid
CID 5280841
6-(2-hydroxyphenyl)hex-5-ene-2,4-dione
CID 91017486
(2Z,4E)-5-(2-hydroxyphenyl)-3-methylpenta-2,4-dienoic acid
CID 15150197
2-[(Z)-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]amino]guanidine
CID 52943986
ethane;4-[2-(3-oxobut-1-enyl)phenyl]but-3-en-2-one
CID 91253043
2-[(1E,3Z,4E)-5-(dimethylamino)-3-ethylidenehepta-1,4,6-trienyl]phenol
CID 89344788
benzene-1,2-diol;methanol;2-(methylideneamino)guanidine
CID 159507696

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(Z)-4-(2-hydroxyphenyl)but-3-en-2-ylidene]amino]guanidine?
The IUPAC name of 2-[(E)-[(Z)-4-(2-hydroxyphenyl)but-3-en-2-ylidene]amino]guanidine (CID 136811096) is 2-[(E)-[(Z)-4-(2-hydroxyphenyl)but-3-en-2-ylidene]amino]guanidine.
What is the SMILES notation for 2-[(E)-[(Z)-4-(2-hydroxyphenyl)but-3-en-2-ylidene]amino]guanidine?
The canonical SMILES for 2-[(E)-[(Z)-4-(2-hydroxyphenyl)but-3-en-2-ylidene]amino]guanidine is CC(/C=C\c1ccccc1O)=N\N=C(N)N.
What is the InChIKey of 2-[(E)-[(Z)-4-(2-hydroxyphenyl)but-3-en-2-ylidene]amino]guanidine?
The InChIKey is LOZRYJJTPFMLME-BHWOWGIZSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8(14-15-11(12)13)6-7-9-4-2-3-5-10(9)16/h2-7,16H,1H3,(H4,12,13,15)/b7-6-,14-8+.
What are the key properties of 2-[(E)-[(Z)-4-(2-hydroxyphenyl)but-3-en-2-ylidene]amino]guanidine?
2-[(E)-[(Z)-4-(2-hydroxyphenyl)but-3-en-2-ylidene]amino]guanidine has a molecular weight of 218.26 g/mol, XLogP of 1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(Z)-4-(2-hydroxyphenyl)but-3-en-2-ylidene]amino]guanidine is sourced from PubChem (CID 136811096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).