1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(3-phenylpyrrolidin-1-yl)ethanone

C18H22N2O — CID 62070394

IUPAC1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(3-phenylpyrrolidin-1-yl)ethanone
SMILESCc1cc(C(=O)CN2CCC(c3ccccc3)C2)c(C)[nH]1
InChIInChI=1S/C18H22N2O/c1-13-10-17(14(2)19-13)18(21)12-20-9-8-16(11-20)15-6-4-3-5-7-15/h3-7,10,16,19H,8-9,11-12H2,1-2H3
InChIKeyZQKJAWIBBGKHCE-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.30
Rot. Bonds4

About 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(3-phenylpyrrolidin-1-yl)ethanone

1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(3-phenylpyrrolidin-1-yl)ethanone (PubChem CID 62070394) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(3-phenylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(3-phenylpyrrolidin-1-yl)ethanone
PubChem CID62070394
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(3-phenylpyrrolidin-1-yl)ethanone
SMILESCc1cc(C(=O)CN2CCC(c3ccccc3)C2)c(C)[nH]1
InChIInChI=1S/C18H22N2O/c1-13-10-17(14(2)19-13)18(21)12-20-9-8-16(11-20)15-6-4-3-5-7-15/h3-7,10,16,19H,8-9,11-12H2,1-2H3
InChIKeyZQKJAWIBBGKHCE-UHFFFAOYSA-N
XLogP3.30
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 60712935
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(2-ethylmorpholin-4-yl)ethanone
CID 43432347
1-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanone
CID 62133026
4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 110659634
N-cyclopropyl-N-ethyl-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95338399
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(3-phenylpyrrolidin-1-yl)acetamide
CID 136607690
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 136703686
2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 86889600
2-(4-butan-2-ylpiperazin-1-yl)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 62775217
N-[(2R)-3-methylbutan-2-yl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95280817
2-(3-phenylpyrrolidin-1-yl)-N-prop-2-ynylacetamide
CID 78983867
3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(3-phenylpyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(3-phenylpyrrolidin-1-yl)ethanone (CID 62070394) is 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(3-phenylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(3-phenylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(3-phenylpyrrolidin-1-yl)ethanone is Cc1cc(C(=O)CN2CCC(c3ccccc3)C2)c(C)[nH]1.
What is the InChIKey of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(3-phenylpyrrolidin-1-yl)ethanone?
The InChIKey is ZQKJAWIBBGKHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-10-17(14(2)19-13)18(21)12-20-9-8-16(11-20)15-6-4-3-5-7-15/h3-7,10,16,19H,8-9,11-12H2,1-2H3.
What are the key properties of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(3-phenylpyrrolidin-1-yl)ethanone?
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(3-phenylpyrrolidin-1-yl)ethanone has a molecular weight of 282.39 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(3-phenylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 62070394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).