2-(2,3,4,5-tetrahydroxyphenyl)ethanimidamide

C8H10N2O4 — CID 18955472

IUPAC2-(2,3,4,5-tetrahydroxyphenyl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cc(O)c(O)c(O)c1O
InChIInChI=1S/C8H10N2O4/c9-5(10)2-3-1-4(11)7(13)8(14)6(3)12/h1,11-14H,2H2,(H3,9,10)
InChIKeyRCHHRIUYCSMBRD-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.01
Rot. Bonds2

About 2-(2,3,4,5-tetrahydroxyphenyl)ethanimidamide

2-(2,3,4,5-tetrahydroxyphenyl)ethanimidamide (PubChem CID 18955472) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-(2,3,4,5-tetrahydroxyphenyl)ethanimidamide.

Molecular Properties

Compound Name2-(2,3,4,5-tetrahydroxyphenyl)ethanimidamide
PubChem CID18955472
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2-(2,3,4,5-tetrahydroxyphenyl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cc(O)c(O)c(O)c1O
InChIInChI=1S/C8H10N2O4/c9-5(10)2-3-1-4(11)7(13)8(14)6(3)12/h1,11-14H,2H2,(H3,9,10)
InChIKeyRCHHRIUYCSMBRD-UHFFFAOYSA-N
XLogP-0.01
TPSA130.79 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-3-fluoro-2-hydroxyphenyl)ethanimidamide
CID 83900141
2-(2-hydroxy-5-methylphenyl)ethanimidamide
CID 83676586
2-(3-fluoro-2-hydroxyphenyl)ethanimidamide
CID 83676622
2-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide
CID 3685928
2-(5-hydroxy-4-oxopyran-2-yl)ethanimidamide
CID 112712047
2-(2,5-dibromophenyl)ethanimidamide
CID 141257590
2-[2-chloro-5-(trifluoromethyl)phenyl]ethanimidamide
CID 91755508
2-(2,4,6-trimethylphenyl)ethanimidamide
CID 3660165
2-phenylethanimidamide
CID 27787
2-[3-(2-aminoethyl)phenyl]ethanimidamide
CID 55252678
2-(3-ethoxy-4-hydroxyphenyl)ethanimidamide
CID 91756255
2-(4-hydroxy-3-nitrophenyl)ethanimidamide
CID 151168662

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5-tetrahydroxyphenyl)ethanimidamide?
The IUPAC name of 2-(2,3,4,5-tetrahydroxyphenyl)ethanimidamide (CID 18955472) is 2-(2,3,4,5-tetrahydroxyphenyl)ethanimidamide.
What is the SMILES notation for 2-(2,3,4,5-tetrahydroxyphenyl)ethanimidamide?
The canonical SMILES for 2-(2,3,4,5-tetrahydroxyphenyl)ethanimidamide is [H]/N=C(\N)Cc1cc(O)c(O)c(O)c1O.
What is the InChIKey of 2-(2,3,4,5-tetrahydroxyphenyl)ethanimidamide?
The InChIKey is RCHHRIUYCSMBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c9-5(10)2-3-1-4(11)7(13)8(14)6(3)12/h1,11-14H,2H2,(H3,9,10).
What are the key properties of 2-(2,3,4,5-tetrahydroxyphenyl)ethanimidamide?
2-(2,3,4,5-tetrahydroxyphenyl)ethanimidamide has a molecular weight of 198.18 g/mol, XLogP of -0.01, 2 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5-tetrahydroxyphenyl)ethanimidamide is sourced from PubChem (CID 18955472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).