2-(5-chloro-2,4-dimethylfuran-3-yl)ethanimidamide

C8H11ClN2O — CID 83876733

IUPAC2-(5-chloro-2,4-dimethylfuran-3-yl)ethanimidamide
SMILES[H]/N=C(\N)Cc1c(C)oc(Cl)c1C
InChIInChI=1S/C8H11ClN2O/c1-4-6(3-7(10)11)5(2)12-8(4)9/h3H2,1-2H3,(H3,10,11)
InChIKeyZYHUKJRUTAUUMV-UHFFFAOYSA-N
MW186.64 g/mol
LogP2.03
Rot. Bonds2

About 2-(5-chloro-2,4-dimethylfuran-3-yl)ethanimidamide

2-(5-chloro-2,4-dimethylfuran-3-yl)ethanimidamide (PubChem CID 83876733) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 2-(5-chloro-2,4-dimethylfuran-3-yl)ethanimidamide.

Molecular Properties

Compound Name2-(5-chloro-2,4-dimethylfuran-3-yl)ethanimidamide
PubChem CID83876733
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name2-(5-chloro-2,4-dimethylfuran-3-yl)ethanimidamide
SMILES[H]/N=C(\N)Cc1c(C)oc(Cl)c1C
InChIInChI=1S/C8H11ClN2O/c1-4-6(3-7(10)11)5(2)12-8(4)9/h3H2,1-2H3,(H3,10,11)
InChIKeyZYHUKJRUTAUUMV-UHFFFAOYSA-N
XLogP2.03
TPSA63.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,4-dimethylfuran-3-yl)ethanimidamide?
The IUPAC name of 2-(5-chloro-2,4-dimethylfuran-3-yl)ethanimidamide (CID 83876733) is 2-(5-chloro-2,4-dimethylfuran-3-yl)ethanimidamide.
What is the SMILES notation for 2-(5-chloro-2,4-dimethylfuran-3-yl)ethanimidamide?
The canonical SMILES for 2-(5-chloro-2,4-dimethylfuran-3-yl)ethanimidamide is [H]/N=C(\N)Cc1c(C)oc(Cl)c1C.
What is the InChIKey of 2-(5-chloro-2,4-dimethylfuran-3-yl)ethanimidamide?
The InChIKey is ZYHUKJRUTAUUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-4-6(3-7(10)11)5(2)12-8(4)9/h3H2,1-2H3,(H3,10,11).
What are the key properties of 2-(5-chloro-2,4-dimethylfuran-3-yl)ethanimidamide?
2-(5-chloro-2,4-dimethylfuran-3-yl)ethanimidamide has a molecular weight of 186.64 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,4-dimethylfuran-3-yl)ethanimidamide is sourced from PubChem (CID 83876733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).