(Z)-2-bromo-3-(furan-2-yl)prop-2-enal

C7H5BrO2 — CID 14939228

IUPAC(Z)-2-bromo-3-(furan-2-yl)prop-2-enal
SMILESO=C/C(Br)=C/c1ccco1
InChIInChI=1S/C7H5BrO2/c8-6(5-9)4-7-2-1-3-10-7/h1-5H/b6-4-
InChIKeySERXLKLDISTZAO-XQRVVYSFSA-N
MW201.02 g/mol
LogP2.21
Rot. Bonds2

About (Z)-2-bromo-3-(furan-2-yl)prop-2-enal

(Z)-2-bromo-3-(furan-2-yl)prop-2-enal (PubChem CID 14939228) has the molecular formula C7H5BrO2 and a molecular weight of 201.02 g/mol. Its IUPAC name is (Z)-2-bromo-3-(furan-2-yl)prop-2-enal.

Molecular Properties

Compound Name(Z)-2-bromo-3-(furan-2-yl)prop-2-enal
PubChem CID14939228
Molecular FormulaC7H5BrO2
Molecular Weight201.02 g/mol
Exact Mass199.95
IUPAC Name(Z)-2-bromo-3-(furan-2-yl)prop-2-enal
SMILESO=C/C(Br)=C/c1ccco1
InChIInChI=1S/C7H5BrO2/c8-6(5-9)4-7-2-1-3-10-7/h1-5H/b6-4-
InChIKeySERXLKLDISTZAO-XQRVVYSFSA-N
XLogP2.21
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.02
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-2-bromo-2-fluoroethenyl]furan
CID 119081936
(Z)-3-(furan-2-yl)-2-methoxyprop-2-enal
CID 102492012
(2E)-2-(furan-2-ylmethylidene)butanal
CID 6435826
(2E)-2-(furan-2-ylmethylidene)-3-methylbutanal
CID 82111259
furan-2-carbaldehyde
CID 76972982
(Z)-3-(furan-2-yl)-2-nitroprop-2-enal
CID 59665521
furan-2-carbaldehyde;nickel
CID 174724529
CID 175710332
CID 175710332
azane;furan-2-carbaldehyde
CID 19372392
(2Z)-2-(furan-2-ylmethylidene)-3-oxobutanoic acid
CID 18595236
formaldehyde;furan-2-carbaldehyde;propan-2-one
CID 159909330
furan-2-carbaldehyde;methoxymethane
CID 175302588

Frequently Asked Questions

What is the IUPAC name of (Z)-2-bromo-3-(furan-2-yl)prop-2-enal?
The IUPAC name of (Z)-2-bromo-3-(furan-2-yl)prop-2-enal (CID 14939228) is (Z)-2-bromo-3-(furan-2-yl)prop-2-enal.
What is the SMILES notation for (Z)-2-bromo-3-(furan-2-yl)prop-2-enal?
The canonical SMILES for (Z)-2-bromo-3-(furan-2-yl)prop-2-enal is O=C/C(Br)=C/c1ccco1.
What is the InChIKey of (Z)-2-bromo-3-(furan-2-yl)prop-2-enal?
The InChIKey is SERXLKLDISTZAO-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H5BrO2/c8-6(5-9)4-7-2-1-3-10-7/h1-5H/b6-4-.
What are the key properties of (Z)-2-bromo-3-(furan-2-yl)prop-2-enal?
(Z)-2-bromo-3-(furan-2-yl)prop-2-enal has a molecular weight of 201.02 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-bromo-3-(furan-2-yl)prop-2-enal is sourced from PubChem (CID 14939228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).