1-[2-[2-(1H-pyrrol-2-yl)propan-2-yl]pyrrolidin-1-yl]ethanone

C13H20N2O — CID 123464427

IUPAC1-[2-[2-(1H-pyrrol-2-yl)propan-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1C(C)(C)c1ccc[nH]1
InChIInChI=1S/C13H20N2O/c1-10(16)15-9-5-7-12(15)13(2,3)11-6-4-8-14-11/h4,6,8,12,14H,5,7,9H2,1-3H3
InChIKeyUDKCVNKILGUDQG-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.30
Rot. Bonds2

About 1-[2-[2-(1H-pyrrol-2-yl)propan-2-yl]pyrrolidin-1-yl]ethanone

1-[2-[2-(1H-pyrrol-2-yl)propan-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 123464427) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[2-[2-(1H-pyrrol-2-yl)propan-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(1H-pyrrol-2-yl)propan-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID123464427
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[2-[2-(1H-pyrrol-2-yl)propan-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1C(C)(C)c1ccc[nH]1
InChIInChI=1S/C13H20N2O/c1-10(16)15-9-5-7-12(15)13(2,3)11-6-4-8-14-11/h4,6,8,12,14H,5,7,9H2,1-3H3
InChIKeyUDKCVNKILGUDQG-UHFFFAOYSA-N
XLogP2.30
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2R)-2-[2-(1H-pyrrol-2-yl)propan-2-yl]pyrrolidin-1-yl]ethanone
CID 139061271
3-(1-acetylpyrrolidin-2-yl)-1H-pyridin-2-one
CID 102539627
[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 128974683
1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butane-1,3-dione
CID 60951109
2-[2-[(2R)-pyrrolidin-2-yl]propan-2-yl]-1H-pyrrole
CID 139061270
2-methyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 47323235
1-cyclopropyl-1-(1H-pyrrol-2-yl)ethanol
CID 57206785
phenyl 2-(2-phenylsulfanylpropan-2-yl)pyrrolidine-1-carboxylate
CID 11313852
2-amino-2-methyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one
CID 54872842
3-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 66262185
1-[2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 3615185
1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 68573047

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(1H-pyrrol-2-yl)propan-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-[2-(1H-pyrrol-2-yl)propan-2-yl]pyrrolidin-1-yl]ethanone (CID 123464427) is 1-[2-[2-(1H-pyrrol-2-yl)propan-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[2-(1H-pyrrol-2-yl)propan-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[2-(1H-pyrrol-2-yl)propan-2-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1C(C)(C)c1ccc[nH]1.
What is the InChIKey of 1-[2-[2-(1H-pyrrol-2-yl)propan-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is UDKCVNKILGUDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(16)15-9-5-7-12(15)13(2,3)11-6-4-8-14-11/h4,6,8,12,14H,5,7,9H2,1-3H3.
What are the key properties of 1-[2-[2-(1H-pyrrol-2-yl)propan-2-yl]pyrrolidin-1-yl]ethanone?
1-[2-[2-(1H-pyrrol-2-yl)propan-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 220.32 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(1H-pyrrol-2-yl)propan-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 123464427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).