2-methoxy-3-methyl-5-oxo-2H-furan-4-carbonitrile

C7H7NO3 — CID 46910378

IUPAC2-methoxy-3-methyl-5-oxo-2H-furan-4-carbonitrile
SMILESCOC1OC(=O)C(C#N)=C1C
InChIInChI=1S/C7H7NO3/c1-4-5(3-8)6(9)11-7(4)10-2/h7H,1-2H3
InChIKeyAUPVKFDWAJBXQX-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.36
Rot. Bonds1

About 2-methoxy-3-methyl-5-oxo-2H-furan-4-carbonitrile

2-methoxy-3-methyl-5-oxo-2H-furan-4-carbonitrile (PubChem CID 46910378) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 2-methoxy-3-methyl-5-oxo-2H-furan-4-carbonitrile.

Molecular Properties

Compound Name2-methoxy-3-methyl-5-oxo-2H-furan-4-carbonitrile
PubChem CID46910378
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name2-methoxy-3-methyl-5-oxo-2H-furan-4-carbonitrile
SMILESCOC1OC(=O)C(C#N)=C1C
InChIInChI=1S/C7H7NO3/c1-4-5(3-8)6(9)11-7(4)10-2/h7H,1-2H3
InChIKeyAUPVKFDWAJBXQX-UHFFFAOYSA-N
XLogP0.36
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methyl-5-oxo-2H-furan-4-carbonitrile?
The IUPAC name of 2-methoxy-3-methyl-5-oxo-2H-furan-4-carbonitrile (CID 46910378) is 2-methoxy-3-methyl-5-oxo-2H-furan-4-carbonitrile.
What is the SMILES notation for 2-methoxy-3-methyl-5-oxo-2H-furan-4-carbonitrile?
The canonical SMILES for 2-methoxy-3-methyl-5-oxo-2H-furan-4-carbonitrile is COC1OC(=O)C(C#N)=C1C.
What is the InChIKey of 2-methoxy-3-methyl-5-oxo-2H-furan-4-carbonitrile?
The InChIKey is AUPVKFDWAJBXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c1-4-5(3-8)6(9)11-7(4)10-2/h7H,1-2H3.
What are the key properties of 2-methoxy-3-methyl-5-oxo-2H-furan-4-carbonitrile?
2-methoxy-3-methyl-5-oxo-2H-furan-4-carbonitrile has a molecular weight of 153.14 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methyl-5-oxo-2H-furan-4-carbonitrile is sourced from PubChem (CID 46910378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).