2,5-dihydrofuran-2-carbonitrile

C5H5NO — CID 67938294

IUPAC2,5-dihydrofuran-2-carbonitrile
SMILESN#CC1C=CCO1
InChIInChI=1S/C5H5NO/c6-4-5-2-1-3-7-5/h1-2,5H,3H2
InChIKeyZPCMATFDVPRTBG-UHFFFAOYSA-N
MW95.10 g/mol
LogP0.46
Rot. Bonds

About 2,5-dihydrofuran-2-carbonitrile

2,5-dihydrofuran-2-carbonitrile (PubChem CID 67938294) has the molecular formula C5H5NO and a molecular weight of 95.10 g/mol. Its IUPAC name is 2,5-dihydrofuran-2-carbonitrile.

Molecular Properties

Compound Name2,5-dihydrofuran-2-carbonitrile
PubChem CID67938294
Molecular FormulaC5H5NO
Molecular Weight95.10 g/mol
Exact Mass95.04
IUPAC Name2,5-dihydrofuran-2-carbonitrile
SMILESN#CC1C=CCO1
InChIInChI=1S/C5H5NO/c6-4-5-2-1-3-7-5/h1-2,5H,3H2
InChIKeyZPCMATFDVPRTBG-UHFFFAOYSA-N
XLogP0.46
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.10
LogP ≤ 50.46
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 2,5-dihydrofuran-2-carbonitrile?
The IUPAC name of 2,5-dihydrofuran-2-carbonitrile (CID 67938294) is 2,5-dihydrofuran-2-carbonitrile.
What is the SMILES notation for 2,5-dihydrofuran-2-carbonitrile?
The canonical SMILES for 2,5-dihydrofuran-2-carbonitrile is N#CC1C=CCO1.
What is the InChIKey of 2,5-dihydrofuran-2-carbonitrile?
The InChIKey is ZPCMATFDVPRTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO/c6-4-5-2-1-3-7-5/h1-2,5H,3H2.
What are the key properties of 2,5-dihydrofuran-2-carbonitrile?
2,5-dihydrofuran-2-carbonitrile has a molecular weight of 95.10 g/mol, XLogP of 0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydrofuran-2-carbonitrile is sourced from PubChem (CID 67938294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).