1-(1-acetyl-3-phenylpyrrolidin-2-yl)ethanone;1-[(3,5-dichlorophenyl)carbamoyl]-3-phenylpyrrolidine-2-carboxylic acid;2-(3,5-dichlorophenyl)-7-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;3-phenylpyrrolidine-2-carboxylic acid

C61H60Cl4N6O9 — CID 158469652

IUPAC1-(1-acetyl-3-phenylpyrrolidin-2-yl)ethanone;1-[(3,5-dichlorophenyl)carbamoyl]-3-phenylpyrrolidine-2-carboxylic acid;2-(3,5-dichlorophenyl)-7-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;3-phenylpyrrolidine-2-carboxylic acid
SMILESCC(=O)C1C(c2ccccc2)CCN1C(C)=O.O=C(O)C1C(c2ccccc2)CCN1C(=O)Nc1cc(Cl)cc(Cl)c1.O=C(O)C1NCCC1c1ccccc1.O=C1C2C(c3ccccc3)CCN2C(=O)N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H16Cl2N2O3.C18H14Cl2N2O2.C14H17NO2.C11H13NO2/c19-12-8-13(20)10-14(9-12)21-18(25)22-7-6-15(16(22)17(23)24)11-4-2-1-3-5-11;19-12-8-13(20)10-14(9-12)22-17(23)16-15(6-7-21(16)18(22)24)11-4-2-1-3-5-11;1-10(16)14-13(8-9-15(14)11(2)17)12-6-4-3-5-7-12;13-11(14)10-9(6-7-12-10)8-4-2-1-3-5-8/h1-5,8-10,15-16H,6-7H2,(H,21,25)(H,23,24);1-5,8-10,15-16H,6-7H2;3-7,13-14H,8-9H2,1-2H3;1-5,9-10,12H,6-7H2,(H,13,14)
InChIKeyHGEQAHYUMOBZJV-UHFFFAOYSA-N
MW1163.00 g/mol
LogP11.98
Rot. Bonds9

About 1-(1-acetyl-3-phenylpyrrolidin-2-yl)ethanone;1-[(3,5-dichlorophenyl)carbamoyl]-3-phenylpyrrolidine-2-carboxylic acid;2-(3,5-dichlorophenyl)-7-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;3-phenylpyrrolidine-2-carboxylic acid

1-(1-acetyl-3-phenylpyrrolidin-2-yl)ethanone;1-[(3,5-dichlorophenyl)carbamoyl]-3-phenylpyrrolidine-2-carboxylic acid;2-(3,5-dichlorophenyl)-7-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;3-phenylpyrrolidine-2-carboxylic acid (PubChem CID 158469652) has the molecular formula C61H60Cl4N6O9 and a molecular weight of 1163.00 g/mol. Its IUPAC name is 1-(1-acetyl-3-phenylpyrrolidin-2-yl)ethanone;1-[(3,5-dichlorophenyl)carbamoyl]-3-phenylpyrrolidine-2-carboxylic acid;2-(3,5-dichlorophenyl)-7-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;3-phenylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-acetyl-3-phenylpyrrolidin-2-yl)ethanone;1-[(3,5-dichlorophenyl)carbamoyl]-3-phenylpyrrolidine-2-carboxylic acid;2-(3,5-dichlorophenyl)-7-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;3-phenylpyrrolidine-2-carboxylic acid
PubChem CID158469652
Molecular FormulaC61H60Cl4N6O9
Molecular Weight1163.00 g/mol
Exact Mass1160.32
IUPAC Name1-(1-acetyl-3-phenylpyrrolidin-2-yl)ethanone;1-[(3,5-dichlorophenyl)carbamoyl]-3-phenylpyrrolidine-2-carboxylic acid;2-(3,5-dichlorophenyl)-7-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;3-phenylpyrrolidine-2-carboxylic acid
SMILESCC(=O)C1C(c2ccccc2)CCN1C(C)=O.O=C(O)C1C(c2ccccc2)CCN1C(=O)Nc1cc(Cl)cc(Cl)c1.O=C(O)C1NCCC1c1ccccc1.O=C1C2C(c3ccccc3)CCN2C(=O)N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H16Cl2N2O3.C18H14Cl2N2O2.C14H17NO2.C11H13NO2/c19-12-8-13(20)10-14(9-12)21-18(25)22-7-6-15(16(22)17(23)24)11-4-2-1-3-5-11;19-12-8-13(20)10-14(9-12)22-17(23)16-15(6-7-21(16)18(22)24)11-4-2-1-3-5-11;1-10(16)14-13(8-9-15(14)11(2)17)12-6-4-3-5-7-12;13-11(14)10-9(6-7-12-10)8-4-2-1-3-5-8/h1-5,8-10,15-16H,6-7H2,(H,21,25)(H,23,24);1-5,8-10,15-16H,6-7H2;3-7,13-14H,8-9H2,1-2H3;1-5,9-10,12H,6-7H2,(H,13,14)
InChIKeyHGEQAHYUMOBZJV-UHFFFAOYSA-N
XLogP11.98
TPSA196.97 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001163.00
LogP ≤ 511.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-(1-acetyl-3-phenylpyrrolidin-2-yl)ethanone;1-[(3,5-dichlorophenyl)carbamoyl]-3-phenylpyrrolidine-2-carboxylic acid;2-(3,5-dichlorophenyl)-7-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;3-phenylpyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

(2R,3R)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride
CID 131632798
(2R,3S)-1-acetyl-3-(4-hydroxyphenyl)pyrrolidine-2-carboxylic acid
CID 10610620
1-[(3,5-dichlorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425149
(2S,3S)-3-(3-methylphenyl)pyrrolidine-2-carboxylic acid
CID 124509776
methyl 3-phenylpyrrolidine-2-carboxylate
CID 18663579
1-[(3,5-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61185284
(2S)-3-(2-chlorophenyl)pyrrolidine-2-carboxylic acid
CID 70380425
N-(3,5-dichlorophenyl)-1-phenylpiperidine-4-carboxamide
CID 17152302
2-methyl-1-[(2S,3R)-3-phenylpyrrolidin-2-yl]propan-1-one
CID 59054861
(1R,6S)-N-(3-chloro-5-methylphenyl)-4-naphthalen-1-yl-3,5-dioxo-2,4,8-triazatricyclo[5.2.1.02,6]decane-8-carboxamide
CID 71058802
1-[(3-acetylphenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102776316
(2S,3R)-1-[(2R)-3-(4-ethoxyphenyl)-2-(propanoylamino)propanoyl]-3-phenylpyrrolidine-2-carboxylic acid
CID 90302836

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-3-phenylpyrrolidin-2-yl)ethanone;1-[(3,5-dichlorophenyl)carbamoyl]-3-phenylpyrrolidine-2-carboxylic acid;2-(3,5-dichlorophenyl)-7-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;3-phenylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1-acetyl-3-phenylpyrrolidin-2-yl)ethanone;1-[(3,5-dichlorophenyl)carbamoyl]-3-phenylpyrrolidine-2-carboxylic acid;2-(3,5-dichlorophenyl)-7-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;3-phenylpyrrolidine-2-carboxylic acid (CID 158469652) is 1-(1-acetyl-3-phenylpyrrolidin-2-yl)ethanone;1-[(3,5-dichlorophenyl)carbamoyl]-3-phenylpyrrolidine-2-carboxylic acid;2-(3,5-dichlorophenyl)-7-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;3-phenylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-acetyl-3-phenylpyrrolidin-2-yl)ethanone;1-[(3,5-dichlorophenyl)carbamoyl]-3-phenylpyrrolidine-2-carboxylic acid;2-(3,5-dichlorophenyl)-7-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;3-phenylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1-acetyl-3-phenylpyrrolidin-2-yl)ethanone;1-[(3,5-dichlorophenyl)carbamoyl]-3-phenylpyrrolidine-2-carboxylic acid;2-(3,5-dichlorophenyl)-7-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;3-phenylpyrrolidine-2-carboxylic acid is CC(=O)C1C(c2ccccc2)CCN1C(C)=O.O=C(O)C1C(c2ccccc2)CCN1C(=O)Nc1cc(Cl)cc(Cl)c1.O=C(O)C1NCCC1c1ccccc1.O=C1C2C(c3ccccc3)CCN2C(=O)N1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(1-acetyl-3-phenylpyrrolidin-2-yl)ethanone;1-[(3,5-dichlorophenyl)carbamoyl]-3-phenylpyrrolidine-2-carboxylic acid;2-(3,5-dichlorophenyl)-7-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;3-phenylpyrrolidine-2-carboxylic acid?
The InChIKey is HGEQAHYUMOBZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O3.C18H14Cl2N2O2.C14H17NO2.C11H13NO2/c19-12-8-13(20)10-14(9-12)21-18(25)22-7-6-15(16(22)17(23)24)11-4-2-1-3-5-11;19-12-8-13(20)10-14(9-12)22-17(23)16-15(6-7-21(16)18(22)24)11-4-2-1-3-5-11;1-10(16)14-13(8-9-15(14)11(2)17)12-6-4-3-5-7-12;13-11(14)10-9(6-7-12-10)8-4-2-1-3-5-8/h1-5,8-10,15-16H,6-7H2,(H,21,25)(H,23,24);1-5,8-10,15-16H,6-7H2;3-7,13-14H,8-9H2,1-2H3;1-5,9-10,12H,6-7H2,(H,13,14).
What are the key properties of 1-(1-acetyl-3-phenylpyrrolidin-2-yl)ethanone;1-[(3,5-dichlorophenyl)carbamoyl]-3-phenylpyrrolidine-2-carboxylic acid;2-(3,5-dichlorophenyl)-7-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;3-phenylpyrrolidine-2-carboxylic acid?
1-(1-acetyl-3-phenylpyrrolidin-2-yl)ethanone;1-[(3,5-dichlorophenyl)carbamoyl]-3-phenylpyrrolidine-2-carboxylic acid;2-(3,5-dichlorophenyl)-7-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;3-phenylpyrrolidine-2-carboxylic acid has a molecular weight of 1163.00 g/mol, XLogP of 11.98, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-3-phenylpyrrolidin-2-yl)ethanone;1-[(3,5-dichlorophenyl)carbamoyl]-3-phenylpyrrolidine-2-carboxylic acid;2-(3,5-dichlorophenyl)-7-phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;3-phenylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 158469652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).