[(1S,2R)-2-(3,4-dimethylphenyl)cyclopropyl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone

C20H24N2O — CID 95589027

IUPAC[(1S,2R)-2-(3,4-dimethylphenyl)cyclopropyl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]2c2ccc[nH]2)cc1C
InChIInChI=1S/C20H24N2O/c1-13-7-8-15(11-14(13)2)16-12-17(16)20(23)22-10-4-6-19(22)18-5-3-9-21-18/h3,5,7-9,11,16-17,19,21H,4,6,10,12H2,1-2H3/t16-,17-,19+/m0/s1
InChIKeyUERKSSQVRWAKMP-JENIJYKNSA-N
MW308.43 g/mol
LogP4.10
Rot. Bonds3

About [(1S,2R)-2-(3,4-dimethylphenyl)cyclopropyl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone

[(1S,2R)-2-(3,4-dimethylphenyl)cyclopropyl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 95589027) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is [(1S,2R)-2-(3,4-dimethylphenyl)cyclopropyl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,2R)-2-(3,4-dimethylphenyl)cyclopropyl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID95589027
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name[(1S,2R)-2-(3,4-dimethylphenyl)cyclopropyl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]2c2ccc[nH]2)cc1C
InChIInChI=1S/C20H24N2O/c1-13-7-8-15(11-14(13)2)16-12-17(16)20(23)22-10-4-6-19(22)18-5-3-9-21-18/h3,5,7-9,11,16-17,19,21H,4,6,10,12H2,1-2H3/t16-,17-,19+/m0/s1
InChIKeyUERKSSQVRWAKMP-JENIJYKNSA-N
XLogP4.10
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone
CID 86852013
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CID 124816489
(2-methylpyrrolidin-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 79388531
2-methyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 47323235
(5-bromo-2-methylphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 65309796
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CID 115745671
1-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]azetidin-1-yl]ethanone
CID 92633130
1-[4-[(1S,2R)-2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-1,4-diazepan-1-yl]ethanone
CID 95588206
1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butane-1,3-dione
CID 60951109
3-amino-1-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]propan-1-one
CID 124509659
(3-bromophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 47176415
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CID 55889204

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-(3,4-dimethylphenyl)cyclopropyl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [(1S,2R)-2-(3,4-dimethylphenyl)cyclopropyl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone (CID 95589027) is [(1S,2R)-2-(3,4-dimethylphenyl)cyclopropyl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(1S,2R)-2-(3,4-dimethylphenyl)cyclopropyl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(1S,2R)-2-(3,4-dimethylphenyl)cyclopropyl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone is Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]2c2ccc[nH]2)cc1C.
What is the InChIKey of [(1S,2R)-2-(3,4-dimethylphenyl)cyclopropyl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is UERKSSQVRWAKMP-JENIJYKNSA-N. The full InChI is InChI=1S/C20H24N2O/c1-13-7-8-15(11-14(13)2)16-12-17(16)20(23)22-10-4-6-19(22)18-5-3-9-21-18/h3,5,7-9,11,16-17,19,21H,4,6,10,12H2,1-2H3/t16-,17-,19+/m0/s1.
What are the key properties of [(1S,2R)-2-(3,4-dimethylphenyl)cyclopropyl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
[(1S,2R)-2-(3,4-dimethylphenyl)cyclopropyl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 308.43 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-(3,4-dimethylphenyl)cyclopropyl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95589027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).