5-methylfuran-2-carbonitrile

C6H5NO — CID 642108

IUPAC5-methylfuran-2-carbonitrile
SMILESCc1ccc(C#N)o1
InChIInChI=1S/C6H5NO/c1-5-2-3-6(4-7)8-5/h2-3H,1H3
InChIKeyXGCRBVWSFYTMEC-UHFFFAOYSA-N
MW107.11 g/mol
LogP1.46
Rot. Bonds

About 5-methylfuran-2-carbonitrile

5-methylfuran-2-carbonitrile (PubChem CID 642108) has the molecular formula C6H5NO and a molecular weight of 107.11 g/mol. Its IUPAC name is 5-methylfuran-2-carbonitrile.

Molecular Properties

Compound Name5-methylfuran-2-carbonitrile
PubChem CID642108
Molecular FormulaC6H5NO
Molecular Weight107.11 g/mol
Exact Mass107.04
IUPAC Name5-methylfuran-2-carbonitrile
SMILESCc1ccc(C#N)o1
InChIInChI=1S/C6H5NO/c1-5-2-3-6(4-7)8-5/h2-3H,1H3
InChIKeyXGCRBVWSFYTMEC-UHFFFAOYSA-N
XLogP1.46
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.11
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methylfuran-2-carbonitrile?
The IUPAC name of 5-methylfuran-2-carbonitrile (CID 642108) is 5-methylfuran-2-carbonitrile.
What is the SMILES notation for 5-methylfuran-2-carbonitrile?
The canonical SMILES for 5-methylfuran-2-carbonitrile is Cc1ccc(C#N)o1.
What is the InChIKey of 5-methylfuran-2-carbonitrile?
The InChIKey is XGCRBVWSFYTMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO/c1-5-2-3-6(4-7)8-5/h2-3H,1H3.
What are the key properties of 5-methylfuran-2-carbonitrile?
5-methylfuran-2-carbonitrile has a molecular weight of 107.11 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylfuran-2-carbonitrile is sourced from PubChem (CID 642108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).