5-[(1S)-1-phenylethyl]iminofuran-2-one

C12H11NO2 — CID 164680686

IUPAC5-[(1S)-1-phenylethyl]iminofuran-2-one
SMILESC[C@H](/N=C1/C=CC(=O)O1)c1ccccc1
InChIInChI=1S/C12H11NO2/c1-9(10-5-3-2-4-6-10)13-11-7-8-12(14)15-11/h2-9H,1H3/b13-11-/t9-/m0/s1
InChIKeyJBAJPQGPDQLFSR-ZWVWWYOOSA-N
MW201.23 g/mol
LogP2.26
Rot. Bonds2

About 5-[(1S)-1-phenylethyl]iminofuran-2-one

5-[(1S)-1-phenylethyl]iminofuran-2-one (PubChem CID 164680686) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 5-[(1S)-1-phenylethyl]iminofuran-2-one.

Molecular Properties

Compound Name5-[(1S)-1-phenylethyl]iminofuran-2-one
PubChem CID164680686
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name5-[(1S)-1-phenylethyl]iminofuran-2-one
SMILESC[C@H](/N=C1/C=CC(=O)O1)c1ccccc1
InChIInChI=1S/C12H11NO2/c1-9(10-5-3-2-4-6-10)13-11-7-8-12(14)15-11/h2-9H,1H3/b13-11-/t9-/m0/s1
InChIKeyJBAJPQGPDQLFSR-ZWVWWYOOSA-N
XLogP2.26
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2(5H)-Furanone,5-[(4-methylphenyl)imino]-
CID 286294
2-Methyl-4-phenyl-6H-1,3-oxazin-6-one
CID 296857
4-(4-Fluorophenyl)-2-methyl-1,3-oxazin-6-one
CID 132519835
ethyl 2-amino-4-fluoro-4-[(1R)-1-phenylethyl]iminobut-2-enoate
CID 173935443
Methyl (e)-3-phenyl-2h-azirine-2-acrylate
CID 10899664
ethyl (E)-4-benzhydryliminobut-2-enoate
CID 11266353
methyl (2E,4E)-5-(3-phenyl-2H-azirin-2-yl)penta-2,4-dienoate
CID 12258789
2-Ethyl-4-phenyl-1,3-oxazin-6-one
CID 13622333
5-(2-Methylphenyl)iminofuran-2-one
CID 15134475
2-Methyl-4-(4-methylphenyl)-1,3-oxazin-6-one
CID 102232032
propan-2-yl (E)-4-benzyliminobut-2-enoate
CID 102531201
2-Methyl-4-(3-methylphenyl)-1,3-oxazin-6-one
CID 132519834

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-phenylethyl]iminofuran-2-one?
The IUPAC name of 5-[(1S)-1-phenylethyl]iminofuran-2-one (CID 164680686) is 5-[(1S)-1-phenylethyl]iminofuran-2-one.
What is the SMILES notation for 5-[(1S)-1-phenylethyl]iminofuran-2-one?
The canonical SMILES for 5-[(1S)-1-phenylethyl]iminofuran-2-one is C[C@H](/N=C1/C=CC(=O)O1)c1ccccc1.
What is the InChIKey of 5-[(1S)-1-phenylethyl]iminofuran-2-one?
The InChIKey is JBAJPQGPDQLFSR-ZWVWWYOOSA-N. The full InChI is InChI=1S/C12H11NO2/c1-9(10-5-3-2-4-6-10)13-11-7-8-12(14)15-11/h2-9H,1H3/b13-11-/t9-/m0/s1.
What are the key properties of 5-[(1S)-1-phenylethyl]iminofuran-2-one?
5-[(1S)-1-phenylethyl]iminofuran-2-one has a molecular weight of 201.23 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-phenylethyl]iminofuran-2-one is sourced from PubChem (CID 164680686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).