5-(furan-2-yl)-3-hydroxy-2-(phenyliminomethyl)cyclohex-2-en-1-one

C17H15NO3 — CID 137183935

IUPAC5-(furan-2-yl)-3-hydroxy-2-(phenyliminomethyl)cyclohex-2-en-1-one
SMILESO=C1CC(c2ccco2)CC(O)=C1/C=N/c1ccccc1
InChIInChI=1S/C17H15NO3/c19-15-9-12(17-7-4-8-21-17)10-16(20)14(15)11-18-13-5-2-1-3-6-13/h1-8,11-12,19H,9-10H2/b18-11+
InChIKeyCFMLXUNDTSAFSU-WOJGMQOQSA-N
MW281.31 g/mol
LogP3.94
Rot. Bonds3

About 5-(furan-2-yl)-3-hydroxy-2-(phenyliminomethyl)cyclohex-2-en-1-one

5-(furan-2-yl)-3-hydroxy-2-(phenyliminomethyl)cyclohex-2-en-1-one (PubChem CID 137183935) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-hydroxy-2-(phenyliminomethyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name5-(furan-2-yl)-3-hydroxy-2-(phenyliminomethyl)cyclohex-2-en-1-one
PubChem CID137183935
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name5-(furan-2-yl)-3-hydroxy-2-(phenyliminomethyl)cyclohex-2-en-1-one
SMILESO=C1CC(c2ccco2)CC(O)=C1/C=N/c1ccccc1
InChIInChI=1S/C17H15NO3/c19-15-9-12(17-7-4-8-21-17)10-16(20)14(15)11-18-13-5-2-1-3-6-13/h1-8,11-12,19H,9-10H2/b18-11+
InChIKeyCFMLXUNDTSAFSU-WOJGMQOQSA-N
XLogP3.94
TPSA62.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-{[(2,5-Dichlorophenyl)amino]methylene}-5-(2-furyl)-1,3-cyclohexanedione
CID 135401490
2-{[(4-Ethoxyphenyl)amino]methylene}-5-(2-furyl)-1,3-cyclohexanedione
CID 135401498
2-{[(4-Ethylphenyl)amino]methylene}-5-(2-furyl)-1,3-cyclohexanedione
CID 135401662
2-{[(4-Bromophenyl)amino]methylene}-5-(2-furyl)cyclohexane-1,3-dione
CID 135413442
2-{[(Furan-2-ylmethyl)amino]methylidene}-5-phenylcyclohexane-1,3-dione
CID 135447669
5-Furan-2-yl-2-(p-tolylamino-methylene)-cyclohexane-1,3-dione
CID 135450678
5-(2-Furanyl)-2-[(2-phenylanilino)methylidene]cyclohexane-1,3-dione
CID 135455186
Benzoic acid, 2-[(2-furanylmethylene)amino]-
CID 690980
4-((4-(Furan-2-yl)-2,6-dioxocyclohexylidene)methylamino)benzenesulfonamide (2d)
CID 137241592
4-Methoxy-N-((5-phenyl-2-furyl)methylene)aniline
CID 681807
2-[(5-Chloro-2-hydroxyanilino)methylidene]-5-(furan-2-yl)cyclohexane-1,3-dione
CID 135435899
2-[(3,5-Dichloroanilino)methylidene]-5-(furan-2-yl)cyclohexane-1,3-dione
CID 135447037

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-hydroxy-2-(phenyliminomethyl)cyclohex-2-en-1-one?
The IUPAC name of 5-(furan-2-yl)-3-hydroxy-2-(phenyliminomethyl)cyclohex-2-en-1-one (CID 137183935) is 5-(furan-2-yl)-3-hydroxy-2-(phenyliminomethyl)cyclohex-2-en-1-one.
What is the SMILES notation for 5-(furan-2-yl)-3-hydroxy-2-(phenyliminomethyl)cyclohex-2-en-1-one?
The canonical SMILES for 5-(furan-2-yl)-3-hydroxy-2-(phenyliminomethyl)cyclohex-2-en-1-one is O=C1CC(c2ccco2)CC(O)=C1/C=N/c1ccccc1.
What is the InChIKey of 5-(furan-2-yl)-3-hydroxy-2-(phenyliminomethyl)cyclohex-2-en-1-one?
The InChIKey is CFMLXUNDTSAFSU-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H15NO3/c19-15-9-12(17-7-4-8-21-17)10-16(20)14(15)11-18-13-5-2-1-3-6-13/h1-8,11-12,19H,9-10H2/b18-11+.
What are the key properties of 5-(furan-2-yl)-3-hydroxy-2-(phenyliminomethyl)cyclohex-2-en-1-one?
5-(furan-2-yl)-3-hydroxy-2-(phenyliminomethyl)cyclohex-2-en-1-one has a molecular weight of 281.31 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-hydroxy-2-(phenyliminomethyl)cyclohex-2-en-1-one is sourced from PubChem (CID 137183935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).