3-(2-chlorophenyl)imino-1-(furan-3-yl)propan-1-one

C13H10ClNO2 — CID 90840610

IUPAC3-(2-chlorophenyl)imino-1-(furan-3-yl)propan-1-one
SMILESO=C(C/C=N/c1ccccc1Cl)c1ccoc1
InChIInChI=1S/C13H10ClNO2/c14-11-3-1-2-4-12(11)15-7-5-13(16)10-6-8-17-9-10/h1-4,6-9H,5H2/b15-7+
InChIKeyJWVVJRZZIJXHMG-VIZOYTHASA-N
MW247.68 g/mol
LogP3.91
Rot. Bonds4

About 3-(2-chlorophenyl)imino-1-(furan-3-yl)propan-1-one

3-(2-chlorophenyl)imino-1-(furan-3-yl)propan-1-one (PubChem CID 90840610) has the molecular formula C13H10ClNO2 and a molecular weight of 247.68 g/mol. Its IUPAC name is 3-(2-chlorophenyl)imino-1-(furan-3-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)imino-1-(furan-3-yl)propan-1-one
PubChem CID90840610
Molecular FormulaC13H10ClNO2
Molecular Weight247.68 g/mol
Exact Mass247.04
IUPAC Name3-(2-chlorophenyl)imino-1-(furan-3-yl)propan-1-one
SMILESO=C(C/C=N/c1ccccc1Cl)c1ccoc1
InChIInChI=1S/C13H10ClNO2/c14-11-3-1-2-4-12(11)15-7-5-13(16)10-6-8-17-9-10/h1-4,6-9H,5H2/b15-7+
InChIKeyJWVVJRZZIJXHMG-VIZOYTHASA-N
XLogP3.91
TPSA42.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-(2-chlorophenyl)imino-1-(furan-3-yl)propan-1-one?
The IUPAC name of 3-(2-chlorophenyl)imino-1-(furan-3-yl)propan-1-one (CID 90840610) is 3-(2-chlorophenyl)imino-1-(furan-3-yl)propan-1-one.
What is the SMILES notation for 3-(2-chlorophenyl)imino-1-(furan-3-yl)propan-1-one?
The canonical SMILES for 3-(2-chlorophenyl)imino-1-(furan-3-yl)propan-1-one is O=C(C/C=N/c1ccccc1Cl)c1ccoc1.
What is the InChIKey of 3-(2-chlorophenyl)imino-1-(furan-3-yl)propan-1-one?
The InChIKey is JWVVJRZZIJXHMG-VIZOYTHASA-N. The full InChI is InChI=1S/C13H10ClNO2/c14-11-3-1-2-4-12(11)15-7-5-13(16)10-6-8-17-9-10/h1-4,6-9H,5H2/b15-7+.
What are the key properties of 3-(2-chlorophenyl)imino-1-(furan-3-yl)propan-1-one?
3-(2-chlorophenyl)imino-1-(furan-3-yl)propan-1-one has a molecular weight of 247.68 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)imino-1-(furan-3-yl)propan-1-one is sourced from PubChem (CID 90840610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).