N-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]formamide

C9H8BrNO2 — CID 14800296

IUPACN-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]formamide
SMILESO=CN/C=C/c1cc(Br)ccc1O
InChIInChI=1S/C9H8BrNO2/c10-8-1-2-9(13)7(5-8)3-4-11-6-12/h1-6,13H,(H,11,12)/b4-3+
InChIKeyVDUAHTSLLNUNQN-ONEGZZNKSA-N
MW242.07 g/mol
LogP1.87
Rot. Bonds3

About N-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]formamide

N-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]formamide (PubChem CID 14800296) has the molecular formula C9H8BrNO2 and a molecular weight of 242.07 g/mol. Its IUPAC name is N-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]formamide.

Molecular Properties

Compound NameN-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]formamide
PubChem CID14800296
Molecular FormulaC9H8BrNO2
Molecular Weight242.07 g/mol
Exact Mass240.97
IUPAC NameN-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]formamide
SMILESO=CN/C=C/c1cc(Br)ccc1O
InChIInChI=1S/C9H8BrNO2/c10-8-1-2-9(13)7(5-8)3-4-11-6-12/h1-6,13H,(H,11,12)/b4-3+
InChIKeyVDUAHTSLLNUNQN-ONEGZZNKSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.07
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]phenol
CID 23471173
3-(5-bromo-2-hydroxyphenyl)prop-2-enal
CID 73179999
N-[(E)-2-(2,3-dihydroxyphenyl)ethenyl]formamide
CID 5386800
4-bromo-2-[(E)-3-hydroxyprop-1-enyl]phenol
CID 12641145
4-bromo-2-(3-chloroprop-1-enyl)phenol
CID 169478320
2-(5-bromo-2-hydroxyphenyl)ethenone
CID 176516988
1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 136870132
2-(2-acridin-9-ylethenyl)-4-bromophenol
CID 3103972
4-bromo-2-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol iodide
CID 24761569
5-bromo-2-hydroxybenzaldehyde;4-bromo-2-[(E)-4-phenylmethoxybut-1-enyl]phenol
CID 159341979
[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 135521536
deuterio-(2-hydroxyphenyl)methanone
CID 91063368

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]formamide?
The IUPAC name of N-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]formamide (CID 14800296) is N-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]formamide.
What is the SMILES notation for N-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]formamide?
The canonical SMILES for N-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]formamide is O=CN/C=C/c1cc(Br)ccc1O.
What is the InChIKey of N-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]formamide?
The InChIKey is VDUAHTSLLNUNQN-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H8BrNO2/c10-8-1-2-9(13)7(5-8)3-4-11-6-12/h1-6,13H,(H,11,12)/b4-3+.
What are the key properties of N-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]formamide?
N-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]formamide has a molecular weight of 242.07 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]formamide is sourced from PubChem (CID 14800296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).