(2R,3S)-2-(4-methoxyphenyl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one

C18H15NO3 — CID 832362

IUPAC(2R,3S)-2-(4-methoxyphenyl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
SMILESCOc1ccc([C@H]2C[C@]23N=C(c2ccccc2)OC3=O)cc1
InChIInChI=1S/C18H15NO3/c1-21-14-9-7-12(8-10-14)15-11-18(15)17(20)22-16(19-18)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3/t15-,18+/m1/s1
InChIKeyNFJWLBFNZOFFPU-QAPCUYQASA-N
MW293.32 g/mol
LogP2.92
Rot. Bonds3

About (2R,3S)-2-(4-methoxyphenyl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one

(2R,3S)-2-(4-methoxyphenyl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one (PubChem CID 832362) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is (2R,3S)-2-(4-methoxyphenyl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one.

Molecular Properties

Compound Name(2R,3S)-2-(4-methoxyphenyl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
PubChem CID832362
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name(2R,3S)-2-(4-methoxyphenyl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
SMILESCOc1ccc([C@H]2C[C@]23N=C(c2ccccc2)OC3=O)cc1
InChIInChI=1S/C18H15NO3/c1-21-14-9-7-12(8-10-14)15-11-18(15)17(20)22-16(19-18)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3/t15-,18+/m1/s1
InChIKeyNFJWLBFNZOFFPU-QAPCUYQASA-N
XLogP2.92
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(4-methoxyphenyl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one?
The IUPAC name of (2R,3S)-2-(4-methoxyphenyl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one (CID 832362) is (2R,3S)-2-(4-methoxyphenyl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one.
What is the SMILES notation for (2R,3S)-2-(4-methoxyphenyl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one?
The canonical SMILES for (2R,3S)-2-(4-methoxyphenyl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one is COc1ccc([C@H]2C[C@]23N=C(c2ccccc2)OC3=O)cc1.
What is the InChIKey of (2R,3S)-2-(4-methoxyphenyl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one?
The InChIKey is NFJWLBFNZOFFPU-QAPCUYQASA-N. The full InChI is InChI=1S/C18H15NO3/c1-21-14-9-7-12(8-10-14)15-11-18(15)17(20)22-16(19-18)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3/t15-,18+/m1/s1.
What are the key properties of (2R,3S)-2-(4-methoxyphenyl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one?
(2R,3S)-2-(4-methoxyphenyl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one has a molecular weight of 293.32 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(4-methoxyphenyl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one is sourced from PubChem (CID 832362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).