3-(3,5-dimethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one

C18H19NO2 — CID 3708096

IUPAC3-(3,5-dimethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one
SMILESCc1cc(C)cc(NC2=CC(=O)CC(c3ccco3)C2)c1
InChIInChI=1S/C18H19NO2/c1-12-6-13(2)8-15(7-12)19-16-9-14(10-17(20)11-16)18-4-3-5-21-18/h3-8,11,14,19H,9-10H2,1-2H3
InChIKeyGOTWOIBOGABBNR-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.34
Rot. Bonds3

About 3-(3,5-dimethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one

3-(3,5-dimethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one (PubChem CID 3708096) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(3,5-dimethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(3,5-dimethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one
PubChem CID3708096
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name3-(3,5-dimethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one
SMILESCc1cc(C)cc(NC2=CC(=O)CC(c3ccco3)C2)c1
InChIInChI=1S/C18H19NO2/c1-12-6-13(2)8-15(7-12)19-16-9-14(10-17(20)11-16)18-4-3-5-21-18/h3-8,11,14,19H,9-10H2,1-2H3
InChIKeyGOTWOIBOGABBNR-UHFFFAOYSA-N
XLogP4.34
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Ethyl 4-{[5-(2-furyl)-3-oxo-1-cyclohexen-1-yl]amino}benzoate
CID 2878114
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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one?
The IUPAC name of 3-(3,5-dimethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one (CID 3708096) is 3-(3,5-dimethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(3,5-dimethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one?
The canonical SMILES for 3-(3,5-dimethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one is Cc1cc(C)cc(NC2=CC(=O)CC(c3ccco3)C2)c1.
What is the InChIKey of 3-(3,5-dimethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one?
The InChIKey is GOTWOIBOGABBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-12-6-13(2)8-15(7-12)19-16-9-14(10-17(20)11-16)18-4-3-5-21-18/h3-8,11,14,19H,9-10H2,1-2H3.
What are the key properties of 3-(3,5-dimethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one?
3-(3,5-dimethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one has a molecular weight of 281.36 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 3708096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).