3-[(2S,3S)-3-phenyl-2-pyrrolidin-1-ylpent-4-enoyl]-1,3-oxazolidin-2-one

C18H22N2O3 — CID 146166726

IUPAC3-[(2S,3S)-3-phenyl-2-pyrrolidin-1-ylpent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=C[C@@H](c1ccccc1)[C@@H](C(=O)N1CCOC1=O)N1CCCC1
InChIInChI=1S/C18H22N2O3/c1-2-15(14-8-4-3-5-9-14)16(19-10-6-7-11-19)17(21)20-12-13-23-18(20)22/h2-5,8-9,15-16H,1,6-7,10-13H2/t15-,16-/m0/s1
InChIKeyTVLWKGHEQOUAQS-HOTGVXAUSA-N
MW314.39 g/mol
LogP2.40
Rot. Bonds5

About 3-[(2S,3S)-3-phenyl-2-pyrrolidin-1-ylpent-4-enoyl]-1,3-oxazolidin-2-one

3-[(2S,3S)-3-phenyl-2-pyrrolidin-1-ylpent-4-enoyl]-1,3-oxazolidin-2-one (PubChem CID 146166726) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-[(2S,3S)-3-phenyl-2-pyrrolidin-1-ylpent-4-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(2S,3S)-3-phenyl-2-pyrrolidin-1-ylpent-4-enoyl]-1,3-oxazolidin-2-one
PubChem CID146166726
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name3-[(2S,3S)-3-phenyl-2-pyrrolidin-1-ylpent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=C[C@@H](c1ccccc1)[C@@H](C(=O)N1CCOC1=O)N1CCCC1
InChIInChI=1S/C18H22N2O3/c1-2-15(14-8-4-3-5-9-14)16(19-10-6-7-11-19)17(21)20-12-13-23-18(20)22/h2-5,8-9,15-16H,1,6-7,10-13H2/t15-,16-/m0/s1
InChIKeyTVLWKGHEQOUAQS-HOTGVXAUSA-N
XLogP2.40
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S,3S)-3-phenyl-2-pyrrolidin-1-ylpent-4-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(2S,3S)-3-phenyl-2-pyrrolidin-1-ylpent-4-enoyl]-1,3-oxazolidin-2-one (CID 146166726) is 3-[(2S,3S)-3-phenyl-2-pyrrolidin-1-ylpent-4-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(2S,3S)-3-phenyl-2-pyrrolidin-1-ylpent-4-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(2S,3S)-3-phenyl-2-pyrrolidin-1-ylpent-4-enoyl]-1,3-oxazolidin-2-one is C=C[C@@H](c1ccccc1)[C@@H](C(=O)N1CCOC1=O)N1CCCC1.
What is the InChIKey of 3-[(2S,3S)-3-phenyl-2-pyrrolidin-1-ylpent-4-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is TVLWKGHEQOUAQS-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-2-15(14-8-4-3-5-9-14)16(19-10-6-7-11-19)17(21)20-12-13-23-18(20)22/h2-5,8-9,15-16H,1,6-7,10-13H2/t15-,16-/m0/s1.
What are the key properties of 3-[(2S,3S)-3-phenyl-2-pyrrolidin-1-ylpent-4-enoyl]-1,3-oxazolidin-2-one?
3-[(2S,3S)-3-phenyl-2-pyrrolidin-1-ylpent-4-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 314.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,3S)-3-phenyl-2-pyrrolidin-1-ylpent-4-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 146166726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).