(4R)-4-phenyl-1-(thiophene-2-carbonyl)pyrrolidine-2,3-dione

C15H11NO3S — CID 8991295

IUPAC(4R)-4-phenyl-1-(thiophene-2-carbonyl)pyrrolidine-2,3-dione
SMILESO=C1C(=O)N(C(=O)c2cccs2)C[C@H]1c1ccccc1
InChIInChI=1S/C15H11NO3S/c17-13-11(10-5-2-1-3-6-10)9-16(15(13)19)14(18)12-7-4-8-20-12/h1-8,11H,9H2/t11-/m0/s1
InChIKeyYVFNYHJDNVVPIF-NSHDSACASA-N
MW285.32 g/mol
LogP2.08
Rot. Bonds2

About (4R)-4-phenyl-1-(thiophene-2-carbonyl)pyrrolidine-2,3-dione

(4R)-4-phenyl-1-(thiophene-2-carbonyl)pyrrolidine-2,3-dione (PubChem CID 8991295) has the molecular formula C15H11NO3S and a molecular weight of 285.32 g/mol. Its IUPAC name is (4R)-4-phenyl-1-(thiophene-2-carbonyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4R)-4-phenyl-1-(thiophene-2-carbonyl)pyrrolidine-2,3-dione
PubChem CID8991295
Molecular FormulaC15H11NO3S
Molecular Weight285.32 g/mol
Exact Mass285.05
IUPAC Name(4R)-4-phenyl-1-(thiophene-2-carbonyl)pyrrolidine-2,3-dione
SMILESO=C1C(=O)N(C(=O)c2cccs2)C[C@H]1c1ccccc1
InChIInChI=1S/C15H11NO3S/c17-13-11(10-5-2-1-3-6-10)9-16(15(13)19)14(18)12-7-4-8-20-12/h1-8,11H,9H2/t11-/m0/s1
InChIKeyYVFNYHJDNVVPIF-NSHDSACASA-N
XLogP2.08
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 2908197
[(3R)-3-phenylpiperidin-1-yl]-thiophen-2-ylmethanone
CID 740549
1-[3-methyl-5-(thiophene-2-carbonyl)-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]ethanone
CID 71993475
N-benzyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511042
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(thiophen-2-yl)methanone
CID 66212768
(3,5-dimethyl-4-phenylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 110602244
1-(thiophene-2-carbonyl)pyrrolidine-2,5-dione
CID 4171182
2-[1-(thiophene-2-carbonyl)piperidin-3-yl]acetic acid
CID 62690225
(5S,9S)-9-phenyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97392354
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
2-[1-(thiophene-2-carbonyl)azetidin-3-yl]propanoic acid
CID 116680820
1-phenyl-2-thiophen-2-ylethane-1,2-dione
CID 2175267

Frequently Asked Questions

What is the IUPAC name of (4R)-4-phenyl-1-(thiophene-2-carbonyl)pyrrolidine-2,3-dione?
The IUPAC name of (4R)-4-phenyl-1-(thiophene-2-carbonyl)pyrrolidine-2,3-dione (CID 8991295) is (4R)-4-phenyl-1-(thiophene-2-carbonyl)pyrrolidine-2,3-dione.
What is the SMILES notation for (4R)-4-phenyl-1-(thiophene-2-carbonyl)pyrrolidine-2,3-dione?
The canonical SMILES for (4R)-4-phenyl-1-(thiophene-2-carbonyl)pyrrolidine-2,3-dione is O=C1C(=O)N(C(=O)c2cccs2)C[C@H]1c1ccccc1.
What is the InChIKey of (4R)-4-phenyl-1-(thiophene-2-carbonyl)pyrrolidine-2,3-dione?
The InChIKey is YVFNYHJDNVVPIF-NSHDSACASA-N. The full InChI is InChI=1S/C15H11NO3S/c17-13-11(10-5-2-1-3-6-10)9-16(15(13)19)14(18)12-7-4-8-20-12/h1-8,11H,9H2/t11-/m0/s1.
What are the key properties of (4R)-4-phenyl-1-(thiophene-2-carbonyl)pyrrolidine-2,3-dione?
(4R)-4-phenyl-1-(thiophene-2-carbonyl)pyrrolidine-2,3-dione has a molecular weight of 285.32 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-phenyl-1-(thiophene-2-carbonyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 8991295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).