(3R)-1-(4-bromophenyl)-3-(prop-2-ynylamino)pyrrolidine-2,5-dione

C13H11BrN2O2 — CID 97290155

IUPAC(3R)-1-(4-bromophenyl)-3-(prop-2-ynylamino)pyrrolidine-2,5-dione
SMILESC#CCN[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C13H11BrN2O2/c1-2-7-15-11-8-12(17)16(13(11)18)10-5-3-9(14)4-6-10/h1,3-6,11,15H,7-8H2/t11-/m1/s1
InChIKeyQKRHYZYBAVDFHS-LLVKDONJSA-N
MW307.15 g/mol
LogP1.30
Rot. Bonds3

About (3R)-1-(4-bromophenyl)-3-(prop-2-ynylamino)pyrrolidine-2,5-dione

(3R)-1-(4-bromophenyl)-3-(prop-2-ynylamino)pyrrolidine-2,5-dione (PubChem CID 97290155) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is (3R)-1-(4-bromophenyl)-3-(prop-2-ynylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(4-bromophenyl)-3-(prop-2-ynylamino)pyrrolidine-2,5-dione
PubChem CID97290155
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC Name(3R)-1-(4-bromophenyl)-3-(prop-2-ynylamino)pyrrolidine-2,5-dione
SMILESC#CCN[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C13H11BrN2O2/c1-2-7-15-11-8-12(17)16(13(11)18)10-5-3-9(14)4-6-10/h1,3-6,11,15H,7-8H2/t11-/m1/s1
InChIKeyQKRHYZYBAVDFHS-LLVKDONJSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(4-bromophenyl)-3-(dodecylamino)pyrrolidine-2,5-dione
CID 98066333
methyl 2-[[(3S)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate
CID 710148
(3S)-1-(4-bromophenyl)-3-(4-hydroxybutylamino)pyrrolidine-2,5-dione
CID 7298446
1-(4-bromophenyl)-3-(tert-butylamino)pyrrolidine-2,5-dione
CID 2856358
(3S)-1-(4-bromophenyl)-3-(cyclopentylamino)pyrrolidine-2,5-dione
CID 706670
(3S)-1-(4-bromophenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 40818428
(3S)-1-(4-bromophenyl)-3-(4-chloroanilino)pyrrolidine-2,5-dione
CID 1116618
(3S)-3-(4-bromoanilino)-1-(4-chlorophenyl)pyrrolidine-2,5-dione
CID 31274782
(3S)-3-(4-bromoanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860132
1-propan-2-yl-3-(prop-2-ynylamino)pyrrolidine-2,5-dione
CID 43636535
2-[[(3S)-1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetonitrile
CID 7013367
1-phenyl-3-(propylamino)pyrrolidine-2,5-dione;hydrochloride
CID 53440488

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-bromophenyl)-3-(prop-2-ynylamino)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(4-bromophenyl)-3-(prop-2-ynylamino)pyrrolidine-2,5-dione (CID 97290155) is (3R)-1-(4-bromophenyl)-3-(prop-2-ynylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(4-bromophenyl)-3-(prop-2-ynylamino)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(4-bromophenyl)-3-(prop-2-ynylamino)pyrrolidine-2,5-dione is C#CCN[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O.
What is the InChIKey of (3R)-1-(4-bromophenyl)-3-(prop-2-ynylamino)pyrrolidine-2,5-dione?
The InChIKey is QKRHYZYBAVDFHS-LLVKDONJSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c1-2-7-15-11-8-12(17)16(13(11)18)10-5-3-9(14)4-6-10/h1,3-6,11,15H,7-8H2/t11-/m1/s1.
What are the key properties of (3R)-1-(4-bromophenyl)-3-(prop-2-ynylamino)pyrrolidine-2,5-dione?
(3R)-1-(4-bromophenyl)-3-(prop-2-ynylamino)pyrrolidine-2,5-dione has a molecular weight of 307.15 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-bromophenyl)-3-(prop-2-ynylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 97290155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).