2-[(4-ethylphenyl)iminomethyl]-5-(furan-2-yl)-3-hydroxycyclohex-2-en-1-one

C19H19NO3 — CID 135401662

IUPAC2-[(4-ethylphenyl)iminomethyl]-5-(furan-2-yl)-3-hydroxycyclohex-2-en-1-one
SMILESCCc1ccc(/N=C/C2=C(O)CC(c3ccco3)CC2=O)cc1
InChIInChI=1S/C19H19NO3/c1-2-13-5-7-15(8-6-13)20-12-16-17(21)10-14(11-18(16)22)19-4-3-9-23-19/h3-9,12,14,21H,2,10-11H2,1H3/b20-12+
InChIKeyFLQOIFGPUUDREB-UDWIEESQSA-N
MW309.37 g/mol
LogP4.50
Rot. Bonds4

About 2-[(4-ethylphenyl)iminomethyl]-5-(furan-2-yl)-3-hydroxycyclohex-2-en-1-one

2-[(4-ethylphenyl)iminomethyl]-5-(furan-2-yl)-3-hydroxycyclohex-2-en-1-one (PubChem CID 135401662) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)iminomethyl]-5-(furan-2-yl)-3-hydroxycyclohex-2-en-1-one.

Molecular Properties

Compound Name2-[(4-ethylphenyl)iminomethyl]-5-(furan-2-yl)-3-hydroxycyclohex-2-en-1-one
PubChem CID135401662
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name2-[(4-ethylphenyl)iminomethyl]-5-(furan-2-yl)-3-hydroxycyclohex-2-en-1-one
SMILESCCc1ccc(/N=C/C2=C(O)CC(c3ccco3)CC2=O)cc1
InChIInChI=1S/C19H19NO3/c1-2-13-5-7-15(8-6-13)20-12-16-17(21)10-14(11-18(16)22)19-4-3-9-23-19/h3-9,12,14,21H,2,10-11H2,1H3/b20-12+
InChIKeyFLQOIFGPUUDREB-UDWIEESQSA-N
XLogP4.50
TPSA62.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.50
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

1-(4-(((4-Butoxyphenyl)methylene)amino)phenyl)ethanone
CID 533688
N-(4-Ethoxybenzylidene)-4-acetylaniline
CID 40424582
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-Bromophenyl)amino]methylene}-5-(2-furyl)cyclohexane-1,3-dione
CID 135413442
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
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-[(3,5-Dichloroanilino)methylidene]-5-(furan-2-yl)cyclohexane-1,3-dione
CID 135447037
N-furfurylidene-p-toluidine
CID 899953
6-[4-(Dimethylamino)phenyl]-4-(5-methylfuran-2-yl)cyclohexa-1,3-diene-1-carbaldehyde
CID 24858679

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)iminomethyl]-5-(furan-2-yl)-3-hydroxycyclohex-2-en-1-one?
The IUPAC name of 2-[(4-ethylphenyl)iminomethyl]-5-(furan-2-yl)-3-hydroxycyclohex-2-en-1-one (CID 135401662) is 2-[(4-ethylphenyl)iminomethyl]-5-(furan-2-yl)-3-hydroxycyclohex-2-en-1-one.
What is the SMILES notation for 2-[(4-ethylphenyl)iminomethyl]-5-(furan-2-yl)-3-hydroxycyclohex-2-en-1-one?
The canonical SMILES for 2-[(4-ethylphenyl)iminomethyl]-5-(furan-2-yl)-3-hydroxycyclohex-2-en-1-one is CCc1ccc(/N=C/C2=C(O)CC(c3ccco3)CC2=O)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)iminomethyl]-5-(furan-2-yl)-3-hydroxycyclohex-2-en-1-one?
The InChIKey is FLQOIFGPUUDREB-UDWIEESQSA-N. The full InChI is InChI=1S/C19H19NO3/c1-2-13-5-7-15(8-6-13)20-12-16-17(21)10-14(11-18(16)22)19-4-3-9-23-19/h3-9,12,14,21H,2,10-11H2,1H3/b20-12+.
What are the key properties of 2-[(4-ethylphenyl)iminomethyl]-5-(furan-2-yl)-3-hydroxycyclohex-2-en-1-one?
2-[(4-ethylphenyl)iminomethyl]-5-(furan-2-yl)-3-hydroxycyclohex-2-en-1-one has a molecular weight of 309.37 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)iminomethyl]-5-(furan-2-yl)-3-hydroxycyclohex-2-en-1-one is sourced from PubChem (CID 135401662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).