(4R)-1-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one

C17H16N2O3 — CID 136800382

IUPAC(4R)-1-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one
SMILESCOc1ccc(O)c(/C=N\N2C(=O)C[C@@H]2c2ccccc2)c1
InChIInChI=1S/C17H16N2O3/c1-22-14-7-8-16(20)13(9-14)11-18-19-15(10-17(19)21)12-5-3-2-4-6-12/h2-9,11,15,20H,10H2,1H3/b18-11-/t15-/m1/s1
InChIKeyVXSQUZITWUSOEV-JQFNYASXSA-N
MW296.33 g/mol
LogP2.71
Rot. Bonds4

About (4R)-1-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one

(4R)-1-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one (PubChem CID 136800382) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is (4R)-1-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(4R)-1-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one
PubChem CID136800382
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name(4R)-1-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one
SMILESCOc1ccc(O)c(/C=N\N2C(=O)C[C@@H]2c2ccccc2)c1
InChIInChI=1S/C17H16N2O3/c1-22-14-7-8-16(20)13(9-14)11-18-19-15(10-17(19)21)12-5-3-2-4-6-12/h2-9,11,15,20H,10H2,1H3/b18-11-/t15-/m1/s1
InChIKeyVXSQUZITWUSOEV-JQFNYASXSA-N
XLogP2.71
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(4R)-1-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one
CID 136887294
(4R)-1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one
CID 94841881
(15R,19R)-17-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 137073127
2-ethyl-3-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]quinazolin-4-one
CID 136721174
(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10354907
4-methoxy-2-[(4-phenoxyphenyl)iminomethyl]phenol
CID 135681255
[4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]-phenylmethanone
CID 177256442
4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 768004
2-hydroxy-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 137084970
2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methoxyphenol
CID 136861221
2-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxymethoxyiminomethyl]-4-methoxyphenol
CID 136914415
2-[[(3S)-1,1-dioxothiolan-3-yl]iminomethyl]-4-methoxyphenol
CID 135787711

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one?
The IUPAC name of (4R)-1-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one (CID 136800382) is (4R)-1-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one.
What is the SMILES notation for (4R)-1-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one?
The canonical SMILES for (4R)-1-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one is COc1ccc(O)c(/C=N\N2C(=O)C[C@@H]2c2ccccc2)c1.
What is the InChIKey of (4R)-1-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one?
The InChIKey is VXSQUZITWUSOEV-JQFNYASXSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-22-14-7-8-16(20)13(9-14)11-18-19-15(10-17(19)21)12-5-3-2-4-6-12/h2-9,11,15,20H,10H2,1H3/b18-11-/t15-/m1/s1.
What are the key properties of (4R)-1-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one?
(4R)-1-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one has a molecular weight of 296.33 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-phenylazetidin-2-one is sourced from PubChem (CID 136800382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).