5-(dimethoxyphosphorylmethyl)furan-2-carbonitrile

C8H10NO4P — CID 4055237

IUPAC5-(dimethoxyphosphorylmethyl)furan-2-carbonitrile
SMILESCOP(=O)(Cc1ccc(C#N)o1)OC
InChIInChI=1S/C8H10NO4P/c1-11-14(10,12-2)6-8-4-3-7(5-9)13-8/h3-4H,6H2,1-2H3
InChIKeyRUCCTGBHIFJNRY-UHFFFAOYSA-N
MW215.15 g/mol
LogP2.14
Rot. Bonds4

About 5-(dimethoxyphosphorylmethyl)furan-2-carbonitrile

5-(dimethoxyphosphorylmethyl)furan-2-carbonitrile (PubChem CID 4055237) has the molecular formula C8H10NO4P and a molecular weight of 215.15 g/mol. Its IUPAC name is 5-(dimethoxyphosphorylmethyl)furan-2-carbonitrile.

Molecular Properties

Compound Name5-(dimethoxyphosphorylmethyl)furan-2-carbonitrile
PubChem CID4055237
Molecular FormulaC8H10NO4P
Molecular Weight215.15 g/mol
Exact Mass215.03
IUPAC Name5-(dimethoxyphosphorylmethyl)furan-2-carbonitrile
SMILESCOP(=O)(Cc1ccc(C#N)o1)OC
InChIInChI=1S/C8H10NO4P/c1-11-14(10,12-2)6-8-4-3-7(5-9)13-8/h3-4H,6H2,1-2H3
InChIKeyRUCCTGBHIFJNRY-UHFFFAOYSA-N
XLogP2.14
TPSA72.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.15
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(dimethoxyphosphorylmethyl)furan-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(dimethoxyphosphorylmethyl)furan-2-carbonitrile?
The IUPAC name of 5-(dimethoxyphosphorylmethyl)furan-2-carbonitrile (CID 4055237) is 5-(dimethoxyphosphorylmethyl)furan-2-carbonitrile.
What is the SMILES notation for 5-(dimethoxyphosphorylmethyl)furan-2-carbonitrile?
The canonical SMILES for 5-(dimethoxyphosphorylmethyl)furan-2-carbonitrile is COP(=O)(Cc1ccc(C#N)o1)OC.
What is the InChIKey of 5-(dimethoxyphosphorylmethyl)furan-2-carbonitrile?
The InChIKey is RUCCTGBHIFJNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10NO4P/c1-11-14(10,12-2)6-8-4-3-7(5-9)13-8/h3-4H,6H2,1-2H3.
What are the key properties of 5-(dimethoxyphosphorylmethyl)furan-2-carbonitrile?
5-(dimethoxyphosphorylmethyl)furan-2-carbonitrile has a molecular weight of 215.15 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethoxyphosphorylmethyl)furan-2-carbonitrile is sourced from PubChem (CID 4055237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).