(E)-3-(5-formylfuran-2-yl)prop-2-enenitrile

C8H5NO2 — CID 131234572

IUPAC(E)-3-(5-formylfuran-2-yl)prop-2-enenitrile
SMILESN#C/C=C/c1ccc(C=O)o1
InChIInChI=1S/C8H5NO2/c9-5-1-2-7-3-4-8(6-10)11-7/h1-4,6H/b2-1+
InChIKeyIUAMDOFNWVDQSU-OWOJBTEDSA-N
MW147.13 g/mol
LogP1.63
Rot. Bonds2

About (E)-3-(5-formylfuran-2-yl)prop-2-enenitrile

(E)-3-(5-formylfuran-2-yl)prop-2-enenitrile (PubChem CID 131234572) has the molecular formula C8H5NO2 and a molecular weight of 147.13 g/mol. Its IUPAC name is (E)-3-(5-formylfuran-2-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-(5-formylfuran-2-yl)prop-2-enenitrile
PubChem CID131234572
Molecular FormulaC8H5NO2
Molecular Weight147.13 g/mol
Exact Mass147.03
IUPAC Name(E)-3-(5-formylfuran-2-yl)prop-2-enenitrile
SMILESN#C/C=C/c1ccc(C=O)o1
InChIInChI=1S/C8H5NO2/c9-5-1-2-7-3-4-8(6-10)11-7/h1-4,6H/b2-1+
InChIKeyIUAMDOFNWVDQSU-OWOJBTEDSA-N
XLogP1.63
TPSA54.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(E)-2-(5-formylfuran-2-yl)ethenyl]furan-2-carbaldehyde
CID 13162508
5-[2-(5-methylfuran-2-yl)ethenyl]furan-2-carbaldehyde
CID 71371005
(E)-3-[5-(methoxymethyl)furan-2-yl]prop-2-enenitrile
CID 131243022
5-[(E)-3,3-dimethylbut-1-enyl]furan-2-carbaldehyde
CID 146324228
5-[2-(4-chlorophenyl)ethenyl]furan-2-carbaldehyde
CID 57074211
5-(4-hydroxybut-1-enyl)furan-2-carbaldehyde
CID 170475985
5-[(Z)-2-(2-hydroxyethoxy)ethenyl]furan-2-carbaldehyde
CID 11622449
3-(6-formyl-2-pyridinyl)prop-2-enenitrile
CID 169483263
(E)-3-(3-methyl-1,2-oxazol-5-yl)prop-2-enenitrile
CID 130586140
3-[2-cyanoethyl-(5-formylfuran-2-yl)amino]propanenitrile
CID 139786935
5-(3-azidoprop-1-enyl)furan-2-carbaldehyde
CID 169461233
1-[4-(5-formylfuran-2-yl)phenyl]cyclopropane-1-carbonitrile
CID 169332027

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-formylfuran-2-yl)prop-2-enenitrile?
The IUPAC name of (E)-3-(5-formylfuran-2-yl)prop-2-enenitrile (CID 131234572) is (E)-3-(5-formylfuran-2-yl)prop-2-enenitrile.
What is the SMILES notation for (E)-3-(5-formylfuran-2-yl)prop-2-enenitrile?
The canonical SMILES for (E)-3-(5-formylfuran-2-yl)prop-2-enenitrile is N#C/C=C/c1ccc(C=O)o1.
What is the InChIKey of (E)-3-(5-formylfuran-2-yl)prop-2-enenitrile?
The InChIKey is IUAMDOFNWVDQSU-OWOJBTEDSA-N. The full InChI is InChI=1S/C8H5NO2/c9-5-1-2-7-3-4-8(6-10)11-7/h1-4,6H/b2-1+.
What are the key properties of (E)-3-(5-formylfuran-2-yl)prop-2-enenitrile?
(E)-3-(5-formylfuran-2-yl)prop-2-enenitrile has a molecular weight of 147.13 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-formylfuran-2-yl)prop-2-enenitrile is sourced from PubChem (CID 131234572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).