N-[(E)-2-(2-hydroxy-5-methoxyphenyl)ethenyl]formamide

C10H11NO3 — CID 14800297

IUPACN-[(E)-2-(2-hydroxy-5-methoxyphenyl)ethenyl]formamide
SMILESCOc1ccc(O)c(/C=C/NC=O)c1
InChIInChI=1S/C10H11NO3/c1-14-9-2-3-10(13)8(6-9)4-5-11-7-12/h2-7,13H,1H3,(H,11,12)/b5-4+
InChIKeySVVKWQHWJHUESV-SNAWJCMRSA-N
MW193.20 g/mol
LogP1.12
Rot. Bonds4

About N-[(E)-2-(2-hydroxy-5-methoxyphenyl)ethenyl]formamide

N-[(E)-2-(2-hydroxy-5-methoxyphenyl)ethenyl]formamide (PubChem CID 14800297) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is N-[(E)-2-(2-hydroxy-5-methoxyphenyl)ethenyl]formamide.

Molecular Properties

Compound NameN-[(E)-2-(2-hydroxy-5-methoxyphenyl)ethenyl]formamide
PubChem CID14800297
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC NameN-[(E)-2-(2-hydroxy-5-methoxyphenyl)ethenyl]formamide
SMILESCOc1ccc(O)c(/C=C/NC=O)c1
InChIInChI=1S/C10H11NO3/c1-14-9-2-3-10(13)8(6-9)4-5-11-7-12/h2-7,13H,1H3,(H,11,12)/b5-4+
InChIKeySVVKWQHWJHUESV-SNAWJCMRSA-N
XLogP1.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(2-hydroxy-5-methoxyphenyl)ethenyl]formamide?
The IUPAC name of N-[(E)-2-(2-hydroxy-5-methoxyphenyl)ethenyl]formamide (CID 14800297) is N-[(E)-2-(2-hydroxy-5-methoxyphenyl)ethenyl]formamide.
What is the SMILES notation for N-[(E)-2-(2-hydroxy-5-methoxyphenyl)ethenyl]formamide?
The canonical SMILES for N-[(E)-2-(2-hydroxy-5-methoxyphenyl)ethenyl]formamide is COc1ccc(O)c(/C=C/NC=O)c1.
What is the InChIKey of N-[(E)-2-(2-hydroxy-5-methoxyphenyl)ethenyl]formamide?
The InChIKey is SVVKWQHWJHUESV-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H11NO3/c1-14-9-2-3-10(13)8(6-9)4-5-11-7-12/h2-7,13H,1H3,(H,11,12)/b5-4+.
What are the key properties of N-[(E)-2-(2-hydroxy-5-methoxyphenyl)ethenyl]formamide?
N-[(E)-2-(2-hydroxy-5-methoxyphenyl)ethenyl]formamide has a molecular weight of 193.20 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(2-hydroxy-5-methoxyphenyl)ethenyl]formamide is sourced from PubChem (CID 14800297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).