[(2S)-2-benzhydrylpyrrolidin-1-yl]-[(2S)-pyrrolidin-4-id-2-yl]methanone;manganese

C22H25MnN2O- — CID 145485125

IUPAC[(2S)-2-benzhydrylpyrrolidin-1-yl]-[(2S)-pyrrolidin-4-id-2-yl]methanone;manganese
SMILESO=C([C@@H]1C[CH-]CN1)N1CCC[C@H]1C(c1ccccc1)c1ccccc1.[Mn]
InChIInChI=1S/C22H25N2O.Mn/c25-22(19-13-7-15-23-19)24-16-8-14-20(24)21(17-9-3-1-4-10-17)18-11-5-2-6-12-18;/h1-7,9-12,19-21,23H,8,13-16H2;/q-1;/t19-,20-;/m0./s1
InChIKeyWORZANICIKKSEA-FKLPMGAJSA-N
MW388.39 g/mol
LogP3.37
Rot. Bonds4

About [(2S)-2-benzhydrylpyrrolidin-1-yl]-[(2S)-pyrrolidin-4-id-2-yl]methanone;manganese

[(2S)-2-benzhydrylpyrrolidin-1-yl]-[(2S)-pyrrolidin-4-id-2-yl]methanone;manganese (PubChem CID 145485125) has the molecular formula C22H25MnN2O- and a molecular weight of 388.39 g/mol. Its IUPAC name is [(2S)-2-benzhydrylpyrrolidin-1-yl]-[(2S)-pyrrolidin-4-id-2-yl]methanone;manganese.

Molecular Properties

Compound Name[(2S)-2-benzhydrylpyrrolidin-1-yl]-[(2S)-pyrrolidin-4-id-2-yl]methanone;manganese
PubChem CID145485125
Molecular FormulaC22H25MnN2O-
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC Name[(2S)-2-benzhydrylpyrrolidin-1-yl]-[(2S)-pyrrolidin-4-id-2-yl]methanone;manganese
SMILESO=C([C@@H]1C[CH-]CN1)N1CCC[C@H]1C(c1ccccc1)c1ccccc1.[Mn]
InChIInChI=1S/C22H25N2O.Mn/c25-22(19-13-7-15-23-19)24-16-8-14-20(24)21(17-9-3-1-4-10-17)18-11-5-2-6-12-18;/h1-7,9-12,19-21,23H,8,13-16H2;/q-1;/t19-,20-;/m0./s1
InChIKeyWORZANICIKKSEA-FKLPMGAJSA-N
XLogP3.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-benzhydrylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
CID 73158126
[(1R)-4-(2-aminoethyl)cyclooctyl]-[(2S)-2-benzhydrylpyrrolidin-1-yl]methanone
CID 142080675
[2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119308525
2-(2-benzhydrylpyrrolidin-1-yl)-1-thiomorpholin-4-ylethanone
CID 45488600
2-benzhydryl-1-methylpyrrolidine
CID 71178925
1-[4-(2-benzhydrylpyrrolidin-1-yl)-4-oxobutyl]imidazolidine-2,4-dione
CID 134559112
[(2S)-2-(1-hydroxy-2-phenoxyethyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 67771625
2-benzhydrylpyrrolidine-1-carbaldehyde
CID 87629183
[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone
CID 124569065
[2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119308533
[(2S)-2-benzhydrylpyrrolidin-1-yl]-(1-methyl-4-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone iodide
CID 11215018
(2S)-1-(2-oxo-3-phenylbutanoyl)pyrrolidine-2-carboxylic acid
CID 141164625

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-benzhydrylpyrrolidin-1-yl]-[(2S)-pyrrolidin-4-id-2-yl]methanone;manganese?
The IUPAC name of [(2S)-2-benzhydrylpyrrolidin-1-yl]-[(2S)-pyrrolidin-4-id-2-yl]methanone;manganese (CID 145485125) is [(2S)-2-benzhydrylpyrrolidin-1-yl]-[(2S)-pyrrolidin-4-id-2-yl]methanone;manganese.
What is the SMILES notation for [(2S)-2-benzhydrylpyrrolidin-1-yl]-[(2S)-pyrrolidin-4-id-2-yl]methanone;manganese?
The canonical SMILES for [(2S)-2-benzhydrylpyrrolidin-1-yl]-[(2S)-pyrrolidin-4-id-2-yl]methanone;manganese is O=C([C@@H]1C[CH-]CN1)N1CCC[C@H]1C(c1ccccc1)c1ccccc1.[Mn].
What is the InChIKey of [(2S)-2-benzhydrylpyrrolidin-1-yl]-[(2S)-pyrrolidin-4-id-2-yl]methanone;manganese?
The InChIKey is WORZANICIKKSEA-FKLPMGAJSA-N. The full InChI is InChI=1S/C22H25N2O.Mn/c25-22(19-13-7-15-23-19)24-16-8-14-20(24)21(17-9-3-1-4-10-17)18-11-5-2-6-12-18;/h1-7,9-12,19-21,23H,8,13-16H2;/q-1;/t19-,20-;/m0./s1.
What are the key properties of [(2S)-2-benzhydrylpyrrolidin-1-yl]-[(2S)-pyrrolidin-4-id-2-yl]methanone;manganese?
[(2S)-2-benzhydrylpyrrolidin-1-yl]-[(2S)-pyrrolidin-4-id-2-yl]methanone;manganese has a molecular weight of 388.39 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-benzhydrylpyrrolidin-1-yl]-[(2S)-pyrrolidin-4-id-2-yl]methanone;manganese is sourced from PubChem (CID 145485125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).