(3S)-1-cyclopropyl-3-(4-ethylanilino)pyrrolidine-2,5-dione

C15H18N2O2 — CID 51454371

IUPAC(3S)-1-cyclopropyl-3-(4-ethylanilino)pyrrolidine-2,5-dione
SMILESCCc1ccc(N[C@H]2CC(=O)N(C3CC3)C2=O)cc1
InChIInChI=1S/C15H18N2O2/c1-2-10-3-5-11(6-4-10)16-13-9-14(18)17(15(13)19)12-7-8-12/h3-6,12-13,16H,2,7-9H2,1H3/t13-/m0/s1
InChIKeyMDZUGTUPNQNAIP-ZDUSSCGKSA-N
MW258.32 g/mol
LogP1.95
Rot. Bonds4

About (3S)-1-cyclopropyl-3-(4-ethylanilino)pyrrolidine-2,5-dione

(3S)-1-cyclopropyl-3-(4-ethylanilino)pyrrolidine-2,5-dione (PubChem CID 51454371) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (3S)-1-cyclopropyl-3-(4-ethylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-cyclopropyl-3-(4-ethylanilino)pyrrolidine-2,5-dione
PubChem CID51454371
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(3S)-1-cyclopropyl-3-(4-ethylanilino)pyrrolidine-2,5-dione
SMILESCCc1ccc(N[C@H]2CC(=O)N(C3CC3)C2=O)cc1
InChIInChI=1S/C15H18N2O2/c1-2-10-3-5-11(6-4-10)16-13-9-14(18)17(15(13)19)12-7-8-12/h3-6,12-13,16H,2,7-9H2,1H3/t13-/m0/s1
InChIKeyMDZUGTUPNQNAIP-ZDUSSCGKSA-N
XLogP1.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(1-cyclopropyl-2,5-dioxopyrrolidin-3-yl)amino]phenyl]acetonitrile
CID 61061098
(3R)-1-cyclopentyl-3-(4-fluoroanilino)pyrrolidine-2,5-dione
CID 7456009
(3S)-1-cyclopropyl-3-(4-phenoxyanilino)pyrrolidine-2,5-dione
CID 25349483
3-anilino-1-cycloheptylpyrrolidine-2,5-dione
CID 43637260
1-cyclopentyl-3-(pyridin-4-ylamino)pyrrolidine-2,5-dione
CID 43637410
1-cyclopropyl-3-(thiophen-3-ylamino)pyrrolidine-2,5-dione
CID 66349722
4-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]benzonitrile
CID 43637380
1-cyclopropyl-3-(quinoxalin-6-ylamino)pyrrolidine-2,5-dione
CID 60933132
3-(4-butylanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 138958718
(3R)-1-cyclopentyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 7455923
(3R)-1-(2,4-dichlorophenyl)-3-(4-ethylanilino)pyrrolidine-2,5-dione
CID 51860372
1-cyclohexyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 2947183

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopropyl-3-(4-ethylanilino)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-cyclopropyl-3-(4-ethylanilino)pyrrolidine-2,5-dione (CID 51454371) is (3S)-1-cyclopropyl-3-(4-ethylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-cyclopropyl-3-(4-ethylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-cyclopropyl-3-(4-ethylanilino)pyrrolidine-2,5-dione is CCc1ccc(N[C@H]2CC(=O)N(C3CC3)C2=O)cc1.
What is the InChIKey of (3S)-1-cyclopropyl-3-(4-ethylanilino)pyrrolidine-2,5-dione?
The InChIKey is MDZUGTUPNQNAIP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-10-3-5-11(6-4-10)16-13-9-14(18)17(15(13)19)12-7-8-12/h3-6,12-13,16H,2,7-9H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-1-cyclopropyl-3-(4-ethylanilino)pyrrolidine-2,5-dione?
(3S)-1-cyclopropyl-3-(4-ethylanilino)pyrrolidine-2,5-dione has a molecular weight of 258.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopropyl-3-(4-ethylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 51454371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).