5-(furan-2-yl)-3-(4-hydroxyanilino)cyclohex-2-en-1-one

C16H15NO3 — CID 2877975

IUPAC5-(furan-2-yl)-3-(4-hydroxyanilino)cyclohex-2-en-1-one
SMILESO=C1C=C(Nc2ccc(O)cc2)CC(c2ccco2)C1
InChIInChI=1S/C16H15NO3/c18-14-5-3-12(4-6-14)17-13-8-11(9-15(19)10-13)16-2-1-7-20-16/h1-7,10-11,17-18H,8-9H2
InChIKeyDYAOQMALCPPKAG-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.43
Rot. Bonds3

About 5-(furan-2-yl)-3-(4-hydroxyanilino)cyclohex-2-en-1-one

5-(furan-2-yl)-3-(4-hydroxyanilino)cyclohex-2-en-1-one (PubChem CID 2877975) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-(4-hydroxyanilino)cyclohex-2-en-1-one.

Molecular Properties

Compound Name5-(furan-2-yl)-3-(4-hydroxyanilino)cyclohex-2-en-1-one
PubChem CID2877975
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name5-(furan-2-yl)-3-(4-hydroxyanilino)cyclohex-2-en-1-one
SMILESO=C1C=C(Nc2ccc(O)cc2)CC(c2ccco2)C1
InChIInChI=1S/C16H15NO3/c18-14-5-3-12(4-6-14)17-13-8-11(9-15(19)10-13)16-2-1-7-20-16/h1-7,10-11,17-18H,8-9H2
InChIKeyDYAOQMALCPPKAG-UHFFFAOYSA-N
XLogP3.43
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-(4-hydroxyanilino)cyclohex-2-en-1-one?
The IUPAC name of 5-(furan-2-yl)-3-(4-hydroxyanilino)cyclohex-2-en-1-one (CID 2877975) is 5-(furan-2-yl)-3-(4-hydroxyanilino)cyclohex-2-en-1-one.
What is the SMILES notation for 5-(furan-2-yl)-3-(4-hydroxyanilino)cyclohex-2-en-1-one?
The canonical SMILES for 5-(furan-2-yl)-3-(4-hydroxyanilino)cyclohex-2-en-1-one is O=C1C=C(Nc2ccc(O)cc2)CC(c2ccco2)C1.
What is the InChIKey of 5-(furan-2-yl)-3-(4-hydroxyanilino)cyclohex-2-en-1-one?
The InChIKey is DYAOQMALCPPKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c18-14-5-3-12(4-6-14)17-13-8-11(9-15(19)10-13)16-2-1-7-20-16/h1-7,10-11,17-18H,8-9H2.
What are the key properties of 5-(furan-2-yl)-3-(4-hydroxyanilino)cyclohex-2-en-1-one?
5-(furan-2-yl)-3-(4-hydroxyanilino)cyclohex-2-en-1-one has a molecular weight of 269.30 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-(4-hydroxyanilino)cyclohex-2-en-1-one is sourced from PubChem (CID 2877975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).