[(2R)-2-phenylpyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone

C21H20N2O — CID 41265479

IUPAC[(2R)-2-phenylpyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccc2)cc1)N1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C21H20N2O/c24-21(18-10-12-19(13-11-18)22-14-4-5-15-22)23-16-6-9-20(23)17-7-2-1-3-8-17/h1-5,7-8,10-15,20H,6,9,16H2/t20-/m1/s1
InChIKeyJXUGXIHWZPUJFK-HXUWFJFHSA-N
MW316.40 g/mol
LogP4.45
Rot. Bonds3

About [(2R)-2-phenylpyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone

[(2R)-2-phenylpyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone (PubChem CID 41265479) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is [(2R)-2-phenylpyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[(2R)-2-phenylpyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
PubChem CID41265479
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name[(2R)-2-phenylpyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccc2)cc1)N1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C21H20N2O/c24-21(18-10-12-19(13-11-18)22-14-4-5-15-22)23-16-6-9-20(23)17-7-2-1-3-8-17/h1-5,7-8,10-15,20H,6,9,16H2/t20-/m1/s1
InChIKeyJXUGXIHWZPUJFK-HXUWFJFHSA-N
XLogP4.45
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid
CID 51663819
4-[4-(2-phenylpyrrolidine-1-carbonyl)phenoxy]benzamide
CID 56545893
(4-aminophenyl)-(2-phenylazepan-1-yl)methanone;hydrochloride
CID 119737788
[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 90564014
(3-bromophenyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 41264423
2H-benzotriazol-5-yl-(2-phenylpyrrolidin-1-yl)methanone
CID 24658228
(4-methyl-3-phenylpiperazin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 110416835
(5-iodothiophen-3-yl)-(2-phenylpyrrolidin-1-yl)methanone
CID 78949928
(2S)-2-amino-N-[4-(2-phenylpyrrolidine-1-carbonyl)phenyl]propanamide
CID 119313132
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
[2-(furan-3-yl)piperidin-1-yl]-phenylmethanone
CID 102544350
4-(2-phenylpyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 51325402

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-phenylpyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The IUPAC name of [(2R)-2-phenylpyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone (CID 41265479) is [(2R)-2-phenylpyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for [(2R)-2-phenylpyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for [(2R)-2-phenylpyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone is O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@@H]1c1ccccc1.
What is the InChIKey of [(2R)-2-phenylpyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The InChIKey is JXUGXIHWZPUJFK-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H20N2O/c24-21(18-10-12-19(13-11-18)22-14-4-5-15-22)23-16-6-9-20(23)17-7-2-1-3-8-17/h1-5,7-8,10-15,20H,6,9,16H2/t20-/m1/s1.
What are the key properties of [(2R)-2-phenylpyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
[(2R)-2-phenylpyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone has a molecular weight of 316.40 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-phenylpyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 41265479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).