N-[(Z)-2-(2,5-dihydroxyphenyl)ethenyl]formamide

C9H9NO3 — CID 5467316

IUPACN-[(Z)-2-(2,5-dihydroxyphenyl)ethenyl]formamide
SMILESO=CN/C=C\c1cc(O)ccc1O
InChIInChI=1S/C9H9NO3/c11-6-10-4-3-7-5-8(12)1-2-9(7)13/h1-6,12-13H,(H,10,11)/b4-3-
InChIKeySIHZWGODIRRSRA-ARJAWSKDSA-N
MW179.18 g/mol
LogP0.81
Rot. Bonds3

About N-[(Z)-2-(2,5-dihydroxyphenyl)ethenyl]formamide

N-[(Z)-2-(2,5-dihydroxyphenyl)ethenyl]formamide (PubChem CID 5467316) has the molecular formula C9H9NO3 and a molecular weight of 179.18 g/mol. Its IUPAC name is N-[(Z)-2-(2,5-dihydroxyphenyl)ethenyl]formamide.

Molecular Properties

Compound NameN-[(Z)-2-(2,5-dihydroxyphenyl)ethenyl]formamide
PubChem CID5467316
Molecular FormulaC9H9NO3
Molecular Weight179.18 g/mol
Exact Mass179.06
IUPAC NameN-[(Z)-2-(2,5-dihydroxyphenyl)ethenyl]formamide
SMILESO=CN/C=C\c1cc(O)ccc1O
InChIInChI=1S/C9H9NO3/c11-6-10-4-3-7-5-8(12)1-2-9(7)13/h1-6,12-13H,(H,10,11)/b4-3-
InChIKeySIHZWGODIRRSRA-ARJAWSKDSA-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': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(2,5-dihydroxyphenyl)ethenyl]formamide?
The IUPAC name of N-[(Z)-2-(2,5-dihydroxyphenyl)ethenyl]formamide (CID 5467316) is N-[(Z)-2-(2,5-dihydroxyphenyl)ethenyl]formamide.
What is the SMILES notation for N-[(Z)-2-(2,5-dihydroxyphenyl)ethenyl]formamide?
The canonical SMILES for N-[(Z)-2-(2,5-dihydroxyphenyl)ethenyl]formamide is O=CN/C=C\c1cc(O)ccc1O.
What is the InChIKey of N-[(Z)-2-(2,5-dihydroxyphenyl)ethenyl]formamide?
The InChIKey is SIHZWGODIRRSRA-ARJAWSKDSA-N. The full InChI is InChI=1S/C9H9NO3/c11-6-10-4-3-7-5-8(12)1-2-9(7)13/h1-6,12-13H,(H,10,11)/b4-3-.
What are the key properties of N-[(Z)-2-(2,5-dihydroxyphenyl)ethenyl]formamide?
N-[(Z)-2-(2,5-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-[(Z)-2-(2,5-dihydroxyphenyl)ethenyl]formamide is sourced from PubChem (CID 5467316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).