(Z)-3-(2-chloroanilino)-1-(furan-3-yl)prop-2-en-1-one

C13H10ClNO2 — CID 58582655

IUPAC(Z)-3-(2-chloroanilino)-1-(furan-3-yl)prop-2-en-1-one
SMILESO=C(/C=C\Nc1ccccc1Cl)c1ccoc1
InChIInChI=1S/C13H10ClNO2/c14-11-3-1-2-4-12(11)15-7-5-13(16)10-6-8-17-9-10/h1-9,15H/b7-5-
InChIKeyOWEAOGNCIOAGHM-ALCCZGGFSA-N
MW247.68 g/mol
LogP3.74
Rot. Bonds4

About (Z)-3-(2-chloroanilino)-1-(furan-3-yl)prop-2-en-1-one

(Z)-3-(2-chloroanilino)-1-(furan-3-yl)prop-2-en-1-one (PubChem CID 58582655) has the molecular formula C13H10ClNO2 and a molecular weight of 247.68 g/mol. Its IUPAC name is (Z)-3-(2-chloroanilino)-1-(furan-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(2-chloroanilino)-1-(furan-3-yl)prop-2-en-1-one
PubChem CID58582655
Molecular FormulaC13H10ClNO2
Molecular Weight247.68 g/mol
Exact Mass247.04
IUPAC Name(Z)-3-(2-chloroanilino)-1-(furan-3-yl)prop-2-en-1-one
SMILESO=C(/C=C\Nc1ccccc1Cl)c1ccoc1
InChIInChI=1S/C13H10ClNO2/c14-11-3-1-2-4-12(11)15-7-5-13(16)10-6-8-17-9-10/h1-9,15H/b7-5-
InChIKeyOWEAOGNCIOAGHM-ALCCZGGFSA-N
XLogP3.74
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-chloroanilino)-1-(furan-3-yl)prop-2-en-1-one?
The IUPAC name of (Z)-3-(2-chloroanilino)-1-(furan-3-yl)prop-2-en-1-one (CID 58582655) is (Z)-3-(2-chloroanilino)-1-(furan-3-yl)prop-2-en-1-one.
What is the SMILES notation for (Z)-3-(2-chloroanilino)-1-(furan-3-yl)prop-2-en-1-one?
The canonical SMILES for (Z)-3-(2-chloroanilino)-1-(furan-3-yl)prop-2-en-1-one is O=C(/C=C\Nc1ccccc1Cl)c1ccoc1.
What is the InChIKey of (Z)-3-(2-chloroanilino)-1-(furan-3-yl)prop-2-en-1-one?
The InChIKey is OWEAOGNCIOAGHM-ALCCZGGFSA-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/h1-9,15H/b7-5-.
What are the key properties of (Z)-3-(2-chloroanilino)-1-(furan-3-yl)prop-2-en-1-one?
(Z)-3-(2-chloroanilino)-1-(furan-3-yl)prop-2-en-1-one has a molecular weight of 247.68 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-chloroanilino)-1-(furan-3-yl)prop-2-en-1-one is sourced from PubChem (CID 58582655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).