4-prop-2-enylfuran-3-carbonitrile

C8H7NO — CID 175739682

IUPAC4-prop-2-enylfuran-3-carbonitrile
SMILESC=CCc1cocc1C#N
InChIInChI=1S/C8H7NO/c1-2-3-7-5-10-6-8(7)4-9/h2,5-6H,1,3H2
InChIKeyFEHYKBMMSTYKRW-UHFFFAOYSA-N
MW133.15 g/mol
LogP1.88
Rot. Bonds2

About 4-prop-2-enylfuran-3-carbonitrile

4-prop-2-enylfuran-3-carbonitrile (PubChem CID 175739682) has the molecular formula C8H7NO and a molecular weight of 133.15 g/mol. Its IUPAC name is 4-prop-2-enylfuran-3-carbonitrile.

Molecular Properties

Compound Name4-prop-2-enylfuran-3-carbonitrile
PubChem CID175739682
Molecular FormulaC8H7NO
Molecular Weight133.15 g/mol
Exact Mass133.05
IUPAC Name4-prop-2-enylfuran-3-carbonitrile
SMILESC=CCc1cocc1C#N
InChIInChI=1S/C8H7NO/c1-2-3-7-5-10-6-8(7)4-9/h2,5-6H,1,3H2
InChIKeyFEHYKBMMSTYKRW-UHFFFAOYSA-N
XLogP1.88
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enylfuran-3-carbonitrile?
The IUPAC name of 4-prop-2-enylfuran-3-carbonitrile (CID 175739682) is 4-prop-2-enylfuran-3-carbonitrile.
What is the SMILES notation for 4-prop-2-enylfuran-3-carbonitrile?
The canonical SMILES for 4-prop-2-enylfuran-3-carbonitrile is C=CCc1cocc1C#N.
What is the InChIKey of 4-prop-2-enylfuran-3-carbonitrile?
The InChIKey is FEHYKBMMSTYKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO/c1-2-3-7-5-10-6-8(7)4-9/h2,5-6H,1,3H2.
What are the key properties of 4-prop-2-enylfuran-3-carbonitrile?
4-prop-2-enylfuran-3-carbonitrile has a molecular weight of 133.15 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylfuran-3-carbonitrile is sourced from PubChem (CID 175739682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).