2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]guanidine

C12H16N4O2 — CID 168592929

IUPAC2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]guanidine
SMILESC=CCc1cc(C=NN=C(N)N)cc(OC)c1O
InChIInChI=1S/C12H16N4O2/c1-3-4-9-5-8(7-15-16-12(13)14)6-10(18-2)11(9)17/h3,5-7,17H,1,4H2,2H3,(H4,13,14,16)
InChIKeyHZHAGUCEBHZHIT-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.74
Rot. Bonds5

About 2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]guanidine

2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]guanidine (PubChem CID 168592929) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]guanidine
PubChem CID168592929
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]guanidine
SMILESC=CCc1cc(C=NN=C(N)N)cc(OC)c1O
InChIInChI=1S/C12H16N4O2/c1-3-4-9-5-8(7-15-16-12(13)14)6-10(18-2)11(9)17/h3,5-7,17H,1,4H2,2H3,(H4,13,14,16)
InChIKeyHZHAGUCEBHZHIT-UHFFFAOYSA-N
XLogP0.74
TPSA106.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine
CID 2387812
2-[[3-[(dimethylamino)methyl]-4-hydroxy-5-methoxyphenyl]methylideneamino]guanidine
CID 168591125
4-[(benzylhydrazinylidene)methyl]-2-methoxy-6-prop-2-enylphenol
CID 136704588
3-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)prop-2-enoic acid
CID 69212456
(E)-2-cyano-3-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)prop-2-enethioamide
CID 135716291
2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]guanidine
CID 135460252
2-[(E)-[3-[5-[5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]pentoxy]-4-methoxyphenyl]methylideneamino]guanidine
CID 21195025
2-methoxy-6-prop-2-enyl-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 136704845
3-bromo-N-[(E)-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]benzamide
CID 137149844
2-[[3-[(dimethylamino)methyl]-4-methoxyphenyl]methylideneamino]guanidine
CID 168592187
2-[(3-ethoxy-4-methoxyphenyl)methylideneamino]guanidine
CID 2716681
4-[(E)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-methoxy-6-prop-2-enylphenol
CID 137117270

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]guanidine (CID 168592929) is 2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]guanidine is C=CCc1cc(C=NN=C(N)N)cc(OC)c1O.
What is the InChIKey of 2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]guanidine?
The InChIKey is HZHAGUCEBHZHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-3-4-9-5-8(7-15-16-12(13)14)6-10(18-2)11(9)17/h3,5-7,17H,1,4H2,2H3,(H4,13,14,16).
What are the key properties of 2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]guanidine?
2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]guanidine has a molecular weight of 248.29 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylideneamino]guanidine is sourced from PubChem (CID 168592929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).