5-methylfuran-3-carbonitrile

C6H5NO — CID 14970212

IUPAC5-methylfuran-3-carbonitrile
SMILESCc1cc(C#N)co1
InChIInChI=1S/C6H5NO/c1-5-2-6(3-7)4-8-5/h2,4H,1H3
InChIKeyLJTOHQRHILRDAR-UHFFFAOYSA-N
MW107.11 g/mol
LogP1.46
Rot. Bonds

About 5-methylfuran-3-carbonitrile

5-methylfuran-3-carbonitrile (PubChem CID 14970212) has the molecular formula C6H5NO and a molecular weight of 107.11 g/mol. Its IUPAC name is 5-methylfuran-3-carbonitrile.

Molecular Properties

Compound Name5-methylfuran-3-carbonitrile
PubChem CID14970212
Molecular FormulaC6H5NO
Molecular Weight107.11 g/mol
Exact Mass107.04
IUPAC Name5-methylfuran-3-carbonitrile
SMILESCc1cc(C#N)co1
InChIInChI=1S/C6H5NO/c1-5-2-6(3-7)4-8-5/h2,4H,1H3
InChIKeyLJTOHQRHILRDAR-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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Related Compounds

3-(5-methylfuran-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392776
5-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-3-carbonitrile
CID 68522108
2-[(5-methylfuran-3-yl)methylidene]propanedinitrile
CID 154883998
3-(5-methylfuran-3-yl)-3-oxopropanenitrile
CID 114820944
4-methyl-1,2-benzoxazole-6-carbonitrile
CID 130063899
N-[(3-cyanophenyl)methyl]-5-methylfuran-3-carboxamide
CID 114820614
4,5,9,10-tetramethylpyrene-2,7-dicarbonitrile
CID 102098796
1-cyclopropyl-2-(5-methylfuran-3-yl)benzimidazole-5-carbonitrile
CID 114823633
3,5-dimethyl-4-trimethylsilyloxybenzonitrile
CID 167714450
2-methyl-4-(5-methylfuran-3-yl)sulfanylfuran
CID 174587149
3-(5-methylfuran-2-yl)benzonitrile
CID 4058362
azane;benzene-1,4-dicarbonitrile
CID 174336566

Frequently Asked Questions

What is the IUPAC name of 5-methylfuran-3-carbonitrile?
The IUPAC name of 5-methylfuran-3-carbonitrile (CID 14970212) is 5-methylfuran-3-carbonitrile.
What is the SMILES notation for 5-methylfuran-3-carbonitrile?
The canonical SMILES for 5-methylfuran-3-carbonitrile is Cc1cc(C#N)co1.
What is the InChIKey of 5-methylfuran-3-carbonitrile?
The InChIKey is LJTOHQRHILRDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO/c1-5-2-6(3-7)4-8-5/h2,4H,1H3.
What are the key properties of 5-methylfuran-3-carbonitrile?
5-methylfuran-3-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-3-carbonitrile is sourced from PubChem (CID 14970212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).