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

C17H17NO3 — CID 797847

IUPAC(5R)-5-(furan-2-yl)-3-(4-methoxyanilino)cyclohex-2-en-1-one
SMILESCOc1ccc(NC2=CC(=O)C[C@H](c3ccco3)C2)cc1
InChIInChI=1S/C17H17NO3/c1-20-16-6-4-13(5-7-16)18-14-9-12(10-15(19)11-14)17-3-2-8-21-17/h2-8,11-12,18H,9-10H2,1H3/t12-/m1/s1
InChIKeyWQERMCPMDIEZAB-GFCCVEGCSA-N
MW283.33 g/mol
LogP3.73
Rot. Bonds4

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

(5R)-5-(furan-2-yl)-3-(4-methoxyanilino)cyclohex-2-en-1-one (PubChem CID 797847) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (5R)-5-(furan-2-yl)-3-(4-methoxyanilino)cyclohex-2-en-1-one.

Molecular Properties

Compound Name(5R)-5-(furan-2-yl)-3-(4-methoxyanilino)cyclohex-2-en-1-one
PubChem CID797847
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(5R)-5-(furan-2-yl)-3-(4-methoxyanilino)cyclohex-2-en-1-one
SMILESCOc1ccc(NC2=CC(=O)C[C@H](c3ccco3)C2)cc1
InChIInChI=1S/C17H17NO3/c1-20-16-6-4-13(5-7-16)18-14-9-12(10-15(19)11-14)17-3-2-8-21-17/h2-8,11-12,18H,9-10H2,1H3/t12-/m1/s1
InChIKeyWQERMCPMDIEZAB-GFCCVEGCSA-N
XLogP3.73
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-3-(3,5-dimethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one
CID 951276
3-(3,5-dimethylanilino)-5-(furan-2-yl)cyclohex-2-en-1-one
CID 3708096
(5S)-5-(furan-2-yl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]cyclohex-2-en-1-one
CID 1332960
(5S)-3-(3,4-dimethoxyanilino)-5-(4-methoxyphenyl)cyclohex-2-en-1-one
CID 1128179
(5R)-3-amino-5-(furan-2-yl)cyclohex-2-en-1-one
CID 30033441
(4S,7R)-7-(furan-2-yl)-N-(4-methoxyphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide
CID 7268859
6-(furan-2-yl)-1-(4-methoxyphenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one
CID 16584384
5-(4-methoxyphenyl)-3-(2-phenylanilino)cyclohex-2-en-1-one
CID 3134430
(5R)-5-(4-methoxyphenyl)-3-(2-phenylanilino)cyclohex-2-en-1-one
CID 1128178
(5S)-3-(cyclopropylamino)-5-(4-methoxyphenyl)cyclohex-2-en-1-one
CID 800726
2-[4-(2-fluorophenyl)piperazin-1-yl]-7-(furan-2-yl)-4-(4-methoxyanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 43902914
(5S)-3-(2-ethoxyanilino)-5-(4-methoxyphenyl)cyclohex-2-en-1-one
CID 820873

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(furan-2-yl)-3-(4-methoxyanilino)cyclohex-2-en-1-one?
The IUPAC name of (5R)-5-(furan-2-yl)-3-(4-methoxyanilino)cyclohex-2-en-1-one (CID 797847) is (5R)-5-(furan-2-yl)-3-(4-methoxyanilino)cyclohex-2-en-1-one.
What is the SMILES notation for (5R)-5-(furan-2-yl)-3-(4-methoxyanilino)cyclohex-2-en-1-one?
The canonical SMILES for (5R)-5-(furan-2-yl)-3-(4-methoxyanilino)cyclohex-2-en-1-one is COc1ccc(NC2=CC(=O)C[C@H](c3ccco3)C2)cc1.
What is the InChIKey of (5R)-5-(furan-2-yl)-3-(4-methoxyanilino)cyclohex-2-en-1-one?
The InChIKey is WQERMCPMDIEZAB-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17NO3/c1-20-16-6-4-13(5-7-16)18-14-9-12(10-15(19)11-14)17-3-2-8-21-17/h2-8,11-12,18H,9-10H2,1H3/t12-/m1/s1.
What are the key properties of (5R)-5-(furan-2-yl)-3-(4-methoxyanilino)cyclohex-2-en-1-one?
(5R)-5-(furan-2-yl)-3-(4-methoxyanilino)cyclohex-2-en-1-one has a molecular weight of 283.33 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(furan-2-yl)-3-(4-methoxyanilino)cyclohex-2-en-1-one is sourced from PubChem (CID 797847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).