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

C18H19NO2 — CID 2887084

IUPAC3-(4-ethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one
SMILESCCc1ccc(NC2=CC(=O)CC(c3ccco3)C2)cc1
InChIInChI=1S/C18H19NO2/c1-2-13-5-7-15(8-6-13)19-16-10-14(11-17(20)12-16)18-4-3-9-21-18/h3-9,12,14,19H,2,10-11H2,1H3
InChIKeyRJWVFJFBDGXFOS-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.28
Rot. Bonds4

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

3-(4-ethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one (PubChem CID 2887084) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(4-ethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(4-ethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one
PubChem CID2887084
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name3-(4-ethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one
SMILESCCc1ccc(NC2=CC(=O)CC(c3ccco3)C2)cc1
InChIInChI=1S/C18H19NO2/c1-2-13-5-7-15(8-6-13)19-16-10-14(11-17(20)12-16)18-4-3-9-21-18/h3-9,12,14,19H,2,10-11H2,1H3
InChIKeyRJWVFJFBDGXFOS-UHFFFAOYSA-N
XLogP4.28
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one?
The IUPAC name of 3-(4-ethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one (CID 2887084) is 3-(4-ethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(4-ethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one?
The canonical SMILES for 3-(4-ethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one is CCc1ccc(NC2=CC(=O)CC(c3ccco3)C2)cc1.
What is the InChIKey of 3-(4-ethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one?
The InChIKey is RJWVFJFBDGXFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-2-13-5-7-15(8-6-13)19-16-10-14(11-17(20)12-16)18-4-3-9-21-18/h3-9,12,14,19H,2,10-11H2,1H3.
What are the key properties of 3-(4-ethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one?
3-(4-ethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one has a molecular weight of 281.36 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 2887084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).