2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile

C15H14N2O3 — CID 781691

IUPAC2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile
SMILESCOc1cc(C=Nc2oc(C)c(C)c2C#N)ccc1O
InChIInChI=1S/C15H14N2O3/c1-9-10(2)20-15(12(9)7-16)17-8-11-4-5-13(18)14(6-11)19-3/h4-6,8,18H,1-3H3
InChIKeyDHFWFLDTWFNKQY-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.23
Rot. Bonds3

About 2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile

2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile (PubChem CID 781691) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile.

Molecular Properties

Compound Name2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile
PubChem CID781691
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile
SMILESCOc1cc(C=Nc2oc(C)c(C)c2C#N)ccc1O
InChIInChI=1S/C15H14N2O3/c1-9-10(2)20-15(12(9)7-16)17-8-11-4-5-13(18)14(6-11)19-3/h4-6,8,18H,1-3H3
InChIKeyDHFWFLDTWFNKQY-UHFFFAOYSA-N
XLogP3.23
TPSA78.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile?
The IUPAC name of 2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile (CID 781691) is 2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile.
What is the SMILES notation for 2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile?
The canonical SMILES for 2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile is COc1cc(C=Nc2oc(C)c(C)c2C#N)ccc1O.
What is the InChIKey of 2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile?
The InChIKey is DHFWFLDTWFNKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-9-10(2)20-15(12(9)7-16)17-8-11-4-5-13(18)14(6-11)19-3/h4-6,8,18H,1-3H3.
What are the key properties of 2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile?
2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile has a molecular weight of 270.29 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile is sourced from PubChem (CID 781691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).