2,2,2-trichloro-N-(7-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-5-yl)acetamide

C11H14Cl3NO3 — CID 22560928

IUPAC2,2,2-trichloro-N-(7-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-5-yl)acetamide
SMILESC=C1COC2C(C)OC(NC(=O)C(Cl)(Cl)Cl)CC12
InChIInChI=1S/C11H14Cl3NO3/c1-5-4-17-9-6(2)18-8(3-7(5)9)15-10(16)11(12,13)14/h6-9H,1,3-4H2,2H3,(H,15,16)
InChIKeyJOERNZBGLWNXKA-UHFFFAOYSA-N
MW314.60 g/mol
LogP2.18
Rot. Bonds1

About 2,2,2-trichloro-N-(7-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-5-yl)acetamide

2,2,2-trichloro-N-(7-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-5-yl)acetamide (PubChem CID 22560928) has the molecular formula C11H14Cl3NO3 and a molecular weight of 314.60 g/mol. Its IUPAC name is 2,2,2-trichloro-N-(7-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-5-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-(7-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-5-yl)acetamide
PubChem CID22560928
Molecular FormulaC11H14Cl3NO3
Molecular Weight314.60 g/mol
Exact Mass313.00
IUPAC Name2,2,2-trichloro-N-(7-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-5-yl)acetamide
SMILESC=C1COC2C(C)OC(NC(=O)C(Cl)(Cl)Cl)CC12
InChIInChI=1S/C11H14Cl3NO3/c1-5-4-17-9-6(2)18-8(3-7(5)9)15-10(16)11(12,13)14/h6-9H,1,3-4H2,2H3,(H,15,16)
InChIKeyJOERNZBGLWNXKA-UHFFFAOYSA-N
XLogP2.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.60
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,2-trichloro-N-(7-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-5-yl)acetamide 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 2,2,2-trichloro-N-(7-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-5-yl)acetamide?
The IUPAC name of 2,2,2-trichloro-N-(7-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-5-yl)acetamide (CID 22560928) is 2,2,2-trichloro-N-(7-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-5-yl)acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-(7-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-5-yl)acetamide?
The canonical SMILES for 2,2,2-trichloro-N-(7-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-5-yl)acetamide is C=C1COC2C(C)OC(NC(=O)C(Cl)(Cl)Cl)CC12.
What is the InChIKey of 2,2,2-trichloro-N-(7-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-5-yl)acetamide?
The InChIKey is JOERNZBGLWNXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl3NO3/c1-5-4-17-9-6(2)18-8(3-7(5)9)15-10(16)11(12,13)14/h6-9H,1,3-4H2,2H3,(H,15,16).
What are the key properties of 2,2,2-trichloro-N-(7-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-5-yl)acetamide?
2,2,2-trichloro-N-(7-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-5-yl)acetamide has a molecular weight of 314.60 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-(7-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-5-yl)acetamide is sourced from PubChem (CID 22560928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).