N-[(E)-2-(2,3-dihydroxyphenyl)ethenyl]formamide

C9H9NO3 — CID 5386800

IUPACN-[(E)-2-(2,3-dihydroxyphenyl)ethenyl]formamide
SMILESO=CN/C=C/c1cccc(O)c1O
InChIInChI=1S/C9H9NO3/c11-6-10-5-4-7-2-1-3-8(12)9(7)13/h1-6,12-13H,(H,10,11)/b5-4+
InChIKeyOSQBLWALIFYAPC-SNAWJCMRSA-N
MW179.18 g/mol
LogP0.81
Rot. Bonds3

About N-[(E)-2-(2,3-dihydroxyphenyl)ethenyl]formamide

N-[(E)-2-(2,3-dihydroxyphenyl)ethenyl]formamide (PubChem CID 5386800) has the molecular formula C9H9NO3 and a molecular weight of 179.18 g/mol. Its IUPAC name is N-[(E)-2-(2,3-dihydroxyphenyl)ethenyl]formamide.

Molecular Properties

Compound NameN-[(E)-2-(2,3-dihydroxyphenyl)ethenyl]formamide
PubChem CID5386800
Molecular FormulaC9H9NO3
Molecular Weight179.18 g/mol
Exact Mass179.06
IUPAC NameN-[(E)-2-(2,3-dihydroxyphenyl)ethenyl]formamide
SMILESO=CN/C=C/c1cccc(O)c1O
InChIInChI=1S/C9H9NO3/c11-6-10-5-4-7-2-1-3-8(12)9(7)13/h1-6,12-13H,(H,10,11)/b5-4+
InChIKeyOSQBLWALIFYAPC-SNAWJCMRSA-N
XLogP0.81
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(7-hydroxy-1H-indol-3-yl)ethenyl]formamide
CID 57234999
2,3-dihydroxybenzaldehyde
CID 159243971
N-[2-(2-hydroxy-1H-indol-4-yl)ethenyl]formamide
CID 57272026
N-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]formamide
CID 14800296
N-[(E)-2-(2,6-difluorophenyl)ethenyl]formamide
CID 102120376
3-(2,3-dihydroxyphenyl)-1-phenylprop-2-en-1-one;hydrochloride
CID 69039311
N-[2-(4-hydroxy-1H-indol-7-yl)ethenyl]formamide
CID 57236630
3-(2-isocyanoethenyl)benzene-1,2-diol
CID 54528466
[3-acetyloxy-2-[(E)-2-formamidoethenyl]phenyl] acetate
CID 19888919
2,3-dihydroxybenzaldehyde;3,4-dihydroxybenzaldehyde
CID 160982415
3-[(E)-2-(2-hydroxyphenyl)ethenyl]benzene-1,2-diol;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 68846116
CID 158421076
CID 158421076

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(2,3-dihydroxyphenyl)ethenyl]formamide?
The IUPAC name of N-[(E)-2-(2,3-dihydroxyphenyl)ethenyl]formamide (CID 5386800) is N-[(E)-2-(2,3-dihydroxyphenyl)ethenyl]formamide.
What is the SMILES notation for N-[(E)-2-(2,3-dihydroxyphenyl)ethenyl]formamide?
The canonical SMILES for N-[(E)-2-(2,3-dihydroxyphenyl)ethenyl]formamide is O=CN/C=C/c1cccc(O)c1O.
What is the InChIKey of N-[(E)-2-(2,3-dihydroxyphenyl)ethenyl]formamide?
The InChIKey is OSQBLWALIFYAPC-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H9NO3/c11-6-10-5-4-7-2-1-3-8(12)9(7)13/h1-6,12-13H,(H,10,11)/b5-4+.
What are the key properties of N-[(E)-2-(2,3-dihydroxyphenyl)ethenyl]formamide?
N-[(E)-2-(2,3-dihydroxyphenyl)ethenyl]formamide has a molecular weight of 179.18 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(2,3-dihydroxyphenyl)ethenyl]formamide is sourced from PubChem (CID 5386800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).