(3S)-1-but-3-enyl-3-(dibenzylamino)pyrrolidine-2,5-dione

C22H24N2O2 — CID 166445678

IUPAC(3S)-1-but-3-enyl-3-(dibenzylamino)pyrrolidine-2,5-dione
SMILESC=CCCN1C(=O)C[C@H](N(Cc2ccccc2)Cc2ccccc2)C1=O
InChIInChI=1S/C22H24N2O2/c1-2-3-14-24-21(25)15-20(22(24)26)23(16-18-10-6-4-7-11-18)17-19-12-8-5-9-13-19/h2,4-13,20H,1,3,14-17H2/t20-/m0/s1
InChIKeyBVZDXTJYFDSQRV-FQEVSTJZSA-N
MW348.45 g/mol
LogP3.39
Rot. Bonds8

About (3S)-1-but-3-enyl-3-(dibenzylamino)pyrrolidine-2,5-dione

(3S)-1-but-3-enyl-3-(dibenzylamino)pyrrolidine-2,5-dione (PubChem CID 166445678) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (3S)-1-but-3-enyl-3-(dibenzylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-but-3-enyl-3-(dibenzylamino)pyrrolidine-2,5-dione
PubChem CID166445678
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name(3S)-1-but-3-enyl-3-(dibenzylamino)pyrrolidine-2,5-dione
SMILESC=CCCN1C(=O)C[C@H](N(Cc2ccccc2)Cc2ccccc2)C1=O
InChIInChI=1S/C22H24N2O2/c1-2-3-14-24-21(25)15-20(22(24)26)23(16-18-10-6-4-7-11-18)17-19-12-8-5-9-13-19/h2,4-13,20H,1,3,14-17H2/t20-/m0/s1
InChIKeyBVZDXTJYFDSQRV-FQEVSTJZSA-N
XLogP3.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-but-3-enyl-3-(dibenzylamino)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-but-3-enyl-3-(dibenzylamino)pyrrolidine-2,5-dione (CID 166445678) is (3S)-1-but-3-enyl-3-(dibenzylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-but-3-enyl-3-(dibenzylamino)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-but-3-enyl-3-(dibenzylamino)pyrrolidine-2,5-dione is C=CCCN1C(=O)C[C@H](N(Cc2ccccc2)Cc2ccccc2)C1=O.
What is the InChIKey of (3S)-1-but-3-enyl-3-(dibenzylamino)pyrrolidine-2,5-dione?
The InChIKey is BVZDXTJYFDSQRV-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-2-3-14-24-21(25)15-20(22(24)26)23(16-18-10-6-4-7-11-18)17-19-12-8-5-9-13-19/h2,4-13,20H,1,3,14-17H2/t20-/m0/s1.
What are the key properties of (3S)-1-but-3-enyl-3-(dibenzylamino)pyrrolidine-2,5-dione?
(3S)-1-but-3-enyl-3-(dibenzylamino)pyrrolidine-2,5-dione has a molecular weight of 348.45 g/mol, XLogP of 3.39, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-but-3-enyl-3-(dibenzylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 166445678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).