(Z)-2-bromo-3-naphthalen-1-ylprop-2-enal

C13H9BrO — CID 101086332

IUPAC(Z)-2-bromo-3-naphthalen-1-ylprop-2-enal
SMILESO=C/C(Br)=C/c1cccc2ccccc12
InChIInChI=1S/C13H9BrO/c14-12(9-15)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-9H/b12-8-
InChIKeyNPRYXYZIGWGAFJ-WQLSENKSSA-N
MW261.12 g/mol
LogP3.77
Rot. Bonds2

About (Z)-2-bromo-3-naphthalen-1-ylprop-2-enal

(Z)-2-bromo-3-naphthalen-1-ylprop-2-enal (PubChem CID 101086332) has the molecular formula C13H9BrO and a molecular weight of 261.12 g/mol. Its IUPAC name is (Z)-2-bromo-3-naphthalen-1-ylprop-2-enal.

Molecular Properties

Compound Name(Z)-2-bromo-3-naphthalen-1-ylprop-2-enal
PubChem CID101086332
Molecular FormulaC13H9BrO
Molecular Weight261.12 g/mol
Exact Mass259.98
IUPAC Name(Z)-2-bromo-3-naphthalen-1-ylprop-2-enal
SMILESO=C/C(Br)=C/c1cccc2ccccc12
InChIInChI=1S/C13H9BrO/c14-12(9-15)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-9H/b12-8-
InChIKeyNPRYXYZIGWGAFJ-WQLSENKSSA-N
XLogP3.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-bromo-3-naphthalen-1-ylprop-2-enal?
The IUPAC name of (Z)-2-bromo-3-naphthalen-1-ylprop-2-enal (CID 101086332) is (Z)-2-bromo-3-naphthalen-1-ylprop-2-enal.
What is the SMILES notation for (Z)-2-bromo-3-naphthalen-1-ylprop-2-enal?
The canonical SMILES for (Z)-2-bromo-3-naphthalen-1-ylprop-2-enal is O=C/C(Br)=C/c1cccc2ccccc12.
What is the InChIKey of (Z)-2-bromo-3-naphthalen-1-ylprop-2-enal?
The InChIKey is NPRYXYZIGWGAFJ-WQLSENKSSA-N. The full InChI is InChI=1S/C13H9BrO/c14-12(9-15)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-9H/b12-8-.
What are the key properties of (Z)-2-bromo-3-naphthalen-1-ylprop-2-enal?
(Z)-2-bromo-3-naphthalen-1-ylprop-2-enal has a molecular weight of 261.12 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-bromo-3-naphthalen-1-ylprop-2-enal is sourced from PubChem (CID 101086332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).