(3R,4R)-1-but-3-enyl-3,4-bis(phenylmethoxy)pyrrolidine-2,5-dione

C22H23NO4 — CID 14503836

IUPAC(3R,4R)-1-but-3-enyl-3,4-bis(phenylmethoxy)pyrrolidine-2,5-dione
SMILESC=CCCN1C(=O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C1=O
InChIInChI=1S/C22H23NO4/c1-2-3-14-23-21(24)19(26-15-17-10-6-4-7-11-17)20(22(23)25)27-16-18-12-8-5-9-13-18/h2,4-13,19-20H,1,3,14-16H2/t19-,20-/m1/s1
InChIKeyZRZMXESGGCQJLN-WOJBJXKFSA-N
MW365.43 g/mol
LogP3.10
Rot. Bonds9

About (3R,4R)-1-but-3-enyl-3,4-bis(phenylmethoxy)pyrrolidine-2,5-dione

(3R,4R)-1-but-3-enyl-3,4-bis(phenylmethoxy)pyrrolidine-2,5-dione (PubChem CID 14503836) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is (3R,4R)-1-but-3-enyl-3,4-bis(phenylmethoxy)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R,4R)-1-but-3-enyl-3,4-bis(phenylmethoxy)pyrrolidine-2,5-dione
PubChem CID14503836
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name(3R,4R)-1-but-3-enyl-3,4-bis(phenylmethoxy)pyrrolidine-2,5-dione
SMILESC=CCCN1C(=O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C1=O
InChIInChI=1S/C22H23NO4/c1-2-3-14-23-21(24)19(26-15-17-10-6-4-7-11-17)20(22(23)25)27-16-18-12-8-5-9-13-18/h2,4-13,19-20H,1,3,14-16H2/t19-,20-/m1/s1
InChIKeyZRZMXESGGCQJLN-WOJBJXKFSA-N
XLogP3.10
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-2-(benzyloxy)propanoyl]pyrrolidine
CID 10879038
COX inhibitor, 8
CID 11021865
(3R,4R)-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidine-2,5-dione
CID 134872210
(4R)-1-[(1S)-1-phenylethyl]-4-phenylmethoxypyrrolidin-2-one
CID 134918156
(4S,5S)-1-benzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one
CID 10851542
(4S)-1-Benzyl-4-(benzyloxy)pyrrolidin-2-one
CID 10869717
(3S)-1-Benzyl-3-(benzyloxy)pyrrolidine-2,5-dione
CID 11033761
(2R,3R)-3-hydroxy-2,4-bis(phenylmethoxy)-1-[(4S)-4-propan-2-yl-2-selanylidene-1,3-oxazolidin-3-yl]butan-1-one
CID 59910084
Benzyl 4-acetyloxy-2-oxopyrrolidine-1-carboxylate
CID 175234841
2-Benzhydryloxy-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 38376507
1-[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-phenylmethoxyethanone
CID 129356588
1-[2-[(2-Fluorophenyl)methoxymethyl]morpholin-4-yl]-2-phenylmethoxyethanone
CID 132454298

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-but-3-enyl-3,4-bis(phenylmethoxy)pyrrolidine-2,5-dione?
The IUPAC name of (3R,4R)-1-but-3-enyl-3,4-bis(phenylmethoxy)pyrrolidine-2,5-dione (CID 14503836) is (3R,4R)-1-but-3-enyl-3,4-bis(phenylmethoxy)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R,4R)-1-but-3-enyl-3,4-bis(phenylmethoxy)pyrrolidine-2,5-dione?
The canonical SMILES for (3R,4R)-1-but-3-enyl-3,4-bis(phenylmethoxy)pyrrolidine-2,5-dione is C=CCCN1C(=O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C1=O.
What is the InChIKey of (3R,4R)-1-but-3-enyl-3,4-bis(phenylmethoxy)pyrrolidine-2,5-dione?
The InChIKey is ZRZMXESGGCQJLN-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H23NO4/c1-2-3-14-23-21(24)19(26-15-17-10-6-4-7-11-17)20(22(23)25)27-16-18-12-8-5-9-13-18/h2,4-13,19-20H,1,3,14-16H2/t19-,20-/m1/s1.
What are the key properties of (3R,4R)-1-but-3-enyl-3,4-bis(phenylmethoxy)pyrrolidine-2,5-dione?
(3R,4R)-1-but-3-enyl-3,4-bis(phenylmethoxy)pyrrolidine-2,5-dione has a molecular weight of 365.43 g/mol, XLogP of 3.10, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-but-3-enyl-3,4-bis(phenylmethoxy)pyrrolidine-2,5-dione is sourced from PubChem (CID 14503836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).