(5R)-6-(1-anilinoethylidene)-3,5-bis(furan-2-yl)cyclohex-2-en-1-one

C22H19NO3 — CID 778175

IUPAC(5R)-6-(1-anilinoethylidene)-3,5-bis(furan-2-yl)cyclohex-2-en-1-one
SMILESCC(Nc1ccccc1)=C1C(=O)C=C(c2ccco2)C[C@H]1c1ccco1
InChIInChI=1S/C22H19NO3/c1-15(23-17-7-3-2-4-8-17)22-18(21-10-6-12-26-21)13-16(14-19(22)24)20-9-5-11-25-20/h2-12,14,18,23H,13H2,1H3/t18-/m0/s1
InChIKeyXNPFXDYHRWBESV-SFHVURJKSA-N
MW345.40 g/mol
LogP5.40
Rot. Bonds4

About (5R)-6-(1-anilinoethylidene)-3,5-bis(furan-2-yl)cyclohex-2-en-1-one

(5R)-6-(1-anilinoethylidene)-3,5-bis(furan-2-yl)cyclohex-2-en-1-one (PubChem CID 778175) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is (5R)-6-(1-anilinoethylidene)-3,5-bis(furan-2-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name(5R)-6-(1-anilinoethylidene)-3,5-bis(furan-2-yl)cyclohex-2-en-1-one
PubChem CID778175
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name(5R)-6-(1-anilinoethylidene)-3,5-bis(furan-2-yl)cyclohex-2-en-1-one
SMILESCC(Nc1ccccc1)=C1C(=O)C=C(c2ccco2)C[C@H]1c1ccco1
InChIInChI=1S/C22H19NO3/c1-15(23-17-7-3-2-4-8-17)22-18(21-10-6-12-26-21)13-16(14-19(22)24)20-9-5-11-25-20/h2-12,14,18,23H,13H2,1H3/t18-/m0/s1
InChIKeyXNPFXDYHRWBESV-SFHVURJKSA-N
XLogP5.40
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.40
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(1-anilinoethylidene)-3,5-diphenylcyclohex-2-en-1-one
CID 3911749
(4S)-5-acetyl-4-(furan-2-yl)-6-methyl-3,4-dihydropyran-2-one
CID 132597033
(1S)-1-(furan-2-yl)-4-methyl-1,2-dihydrocyclopenta[b]indol-3-one
CID 177465545
2-[[5-(furan-2-yl)-4H-pyrazol-3-yl]sulfanyl]-2-methyl-N-phenylpropanamide
CID 161264761
5-(furan-2-yl)-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 168527471
(5R)-5-(furan-2-yl)-3-(4-methoxyanilino)cyclohex-2-en-1-one
CID 797847
2-[(1R)-5-methyl-2-nitrocyclohexa-2,4-dien-1-yl]furan
CID 125484491
(4R)-4-(furan-2-yl)-2-hydroxy-N-phenyl-6-phenyliminocyclohexene-1-carboxamide
CID 135737287
(6R,9S)-6,9-bis(furan-2-yl)-7-oxo-N-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carboxamide
CID 40990597
1-[(1R)-1-(furan-2-yl)ethyl]-3-phenylurea
CID 51473393
5-(furan-2-yl)-2-propan-2-ylideneoxolan-3-one
CID 23250320
1-[(1S)-1-(furan-2-yl)ethyl]-3-phenylurea
CID 51473392

Frequently Asked Questions

What is the IUPAC name of (5R)-6-(1-anilinoethylidene)-3,5-bis(furan-2-yl)cyclohex-2-en-1-one?
The IUPAC name of (5R)-6-(1-anilinoethylidene)-3,5-bis(furan-2-yl)cyclohex-2-en-1-one (CID 778175) is (5R)-6-(1-anilinoethylidene)-3,5-bis(furan-2-yl)cyclohex-2-en-1-one.
What is the SMILES notation for (5R)-6-(1-anilinoethylidene)-3,5-bis(furan-2-yl)cyclohex-2-en-1-one?
The canonical SMILES for (5R)-6-(1-anilinoethylidene)-3,5-bis(furan-2-yl)cyclohex-2-en-1-one is CC(Nc1ccccc1)=C1C(=O)C=C(c2ccco2)C[C@H]1c1ccco1.
What is the InChIKey of (5R)-6-(1-anilinoethylidene)-3,5-bis(furan-2-yl)cyclohex-2-en-1-one?
The InChIKey is XNPFXDYHRWBESV-SFHVURJKSA-N. The full InChI is InChI=1S/C22H19NO3/c1-15(23-17-7-3-2-4-8-17)22-18(21-10-6-12-26-21)13-16(14-19(22)24)20-9-5-11-25-20/h2-12,14,18,23H,13H2,1H3/t18-/m0/s1.
What are the key properties of (5R)-6-(1-anilinoethylidene)-3,5-bis(furan-2-yl)cyclohex-2-en-1-one?
(5R)-6-(1-anilinoethylidene)-3,5-bis(furan-2-yl)cyclohex-2-en-1-one has a molecular weight of 345.40 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-(1-anilinoethylidene)-3,5-bis(furan-2-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 778175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).