(E,2R,3R)-2-[(2S)-1-[(E)-but-2-enyl]-5-oxopyrrolidin-2-yl]-5-phenyl-3-triethylsilyloxypent-4-enal

C25H37NO3Si — CID 11683351

IUPAC(E,2R,3R)-2-[(2S)-1-[(E)-but-2-enyl]-5-oxopyrrolidin-2-yl]-5-phenyl-3-triethylsilyloxypent-4-enal
SMILESC/C=C/CN1C(=O)CC[C@H]1[C@@H](C=O)[C@@H](/C=C/c1ccccc1)O[Si](CC)(CC)CC
InChIInChI=1S/C25H37NO3Si/c1-5-9-19-26-23(16-18-25(26)28)22(20-27)24(29-30(6-2,7-3)8-4)17-15-21-13-11-10-12-14-21/h5,9-15,17,20,22-24H,6-8,16,18-19H2,1-4H3/b9-5+,17-15+/t22-,23+,24-/m1/s1
InChIKeyZVUAKCHPTRBAAL-SQVVQQRPSA-N
MW427.66 g/mol
LogP5.47
Rot. Bonds12

About (E,2R,3R)-2-[(2S)-1-[(E)-but-2-enyl]-5-oxopyrrolidin-2-yl]-5-phenyl-3-triethylsilyloxypent-4-enal

(E,2R,3R)-2-[(2S)-1-[(E)-but-2-enyl]-5-oxopyrrolidin-2-yl]-5-phenyl-3-triethylsilyloxypent-4-enal (PubChem CID 11683351) has the molecular formula C25H37NO3Si and a molecular weight of 427.66 g/mol. Its IUPAC name is (E,2R,3R)-2-[(2S)-1-[(E)-but-2-enyl]-5-oxopyrrolidin-2-yl]-5-phenyl-3-triethylsilyloxypent-4-enal.

Molecular Properties

Compound Name(E,2R,3R)-2-[(2S)-1-[(E)-but-2-enyl]-5-oxopyrrolidin-2-yl]-5-phenyl-3-triethylsilyloxypent-4-enal
PubChem CID11683351
Molecular FormulaC25H37NO3Si
Molecular Weight427.66 g/mol
Exact Mass427.25
IUPAC Name(E,2R,3R)-2-[(2S)-1-[(E)-but-2-enyl]-5-oxopyrrolidin-2-yl]-5-phenyl-3-triethylsilyloxypent-4-enal
SMILESC/C=C/CN1C(=O)CC[C@H]1[C@@H](C=O)[C@@H](/C=C/c1ccccc1)O[Si](CC)(CC)CC
InChIInChI=1S/C25H37NO3Si/c1-5-9-19-26-23(16-18-25(26)28)22(20-27)24(29-30(6-2,7-3)8-4)17-15-21-13-11-10-12-14-21/h5,9-15,17,20,22-24H,6-8,16,18-19H2,1-4H3/b9-5+,17-15+/t22-,23+,24-/m1/s1
InChIKeyZVUAKCHPTRBAAL-SQVVQQRPSA-N
XLogP5.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.66
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E,3S,4R)-6-phenyl-4-triethylsilyloxyhex-5-en-3-ol
CID 10804618
5-hydroxy-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-one
CID 139246718
3-butyl-2-[(E)-1-hydroxy-3-phenylprop-2-enyl]cyclopentan-1-one
CID 12838003
1-methyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 110687297
(2,5-dioxopyrrolidin-1-yl) (2E,7E)-5-hydroxy-6-methyl-8-phenylocta-2,7-dienoate
CID 20612152
(3S,8aS)-3-methyl-2-[(E)-3-phenylprop-2-enyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione;formic acid
CID 166598539
(E)-2-cyclohexyl-3,5-diphenylpent-4-enal
CID 54752589
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
1-benzyl-5-[(E)-2-(4-ethoxyphenyl)ethenyl]pyrrolidin-2-one
CID 132510409
5-pentoxy-1-(2-phenylethenylsulfonyl)pyrrolidin-2-one
CID 3087426
1-(3-phenylprop-2-enyl)-2,3-dihydroquinolin-4-one
CID 77033480
(3S)-1-[(4-methoxyphenyl)methyl]-3-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-2,5-dione
CID 164699527

Frequently Asked Questions

What is the IUPAC name of (E,2R,3R)-2-[(2S)-1-[(E)-but-2-enyl]-5-oxopyrrolidin-2-yl]-5-phenyl-3-triethylsilyloxypent-4-enal?
The IUPAC name of (E,2R,3R)-2-[(2S)-1-[(E)-but-2-enyl]-5-oxopyrrolidin-2-yl]-5-phenyl-3-triethylsilyloxypent-4-enal (CID 11683351) is (E,2R,3R)-2-[(2S)-1-[(E)-but-2-enyl]-5-oxopyrrolidin-2-yl]-5-phenyl-3-triethylsilyloxypent-4-enal.
What is the SMILES notation for (E,2R,3R)-2-[(2S)-1-[(E)-but-2-enyl]-5-oxopyrrolidin-2-yl]-5-phenyl-3-triethylsilyloxypent-4-enal?
The canonical SMILES for (E,2R,3R)-2-[(2S)-1-[(E)-but-2-enyl]-5-oxopyrrolidin-2-yl]-5-phenyl-3-triethylsilyloxypent-4-enal is C/C=C/CN1C(=O)CC[C@H]1[C@@H](C=O)[C@@H](/C=C/c1ccccc1)O[Si](CC)(CC)CC.
What is the InChIKey of (E,2R,3R)-2-[(2S)-1-[(E)-but-2-enyl]-5-oxopyrrolidin-2-yl]-5-phenyl-3-triethylsilyloxypent-4-enal?
The InChIKey is ZVUAKCHPTRBAAL-SQVVQQRPSA-N. The full InChI is InChI=1S/C25H37NO3Si/c1-5-9-19-26-23(16-18-25(26)28)22(20-27)24(29-30(6-2,7-3)8-4)17-15-21-13-11-10-12-14-21/h5,9-15,17,20,22-24H,6-8,16,18-19H2,1-4H3/b9-5+,17-15+/t22-,23+,24-/m1/s1.
What are the key properties of (E,2R,3R)-2-[(2S)-1-[(E)-but-2-enyl]-5-oxopyrrolidin-2-yl]-5-phenyl-3-triethylsilyloxypent-4-enal?
(E,2R,3R)-2-[(2S)-1-[(E)-but-2-enyl]-5-oxopyrrolidin-2-yl]-5-phenyl-3-triethylsilyloxypent-4-enal has a molecular weight of 427.66 g/mol, XLogP of 5.47, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3R)-2-[(2S)-1-[(E)-but-2-enyl]-5-oxopyrrolidin-2-yl]-5-phenyl-3-triethylsilyloxypent-4-enal is sourced from PubChem (CID 11683351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).