2-(3-propan-2-ylpyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone

C13H20N2O — CID 115688439

IUPAC2-(3-propan-2-ylpyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
SMILESCC(C)C1CCN(CC(=O)c2ccc[nH]2)C1
InChIInChI=1S/C13H20N2O/c1-10(2)11-5-7-15(8-11)9-13(16)12-4-3-6-14-12/h3-4,6,10-11,14H,5,7-9H2,1-2H3
InChIKeyBWTDLYRMWHJAJK-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.18
Rot. Bonds4

About 2-(3-propan-2-ylpyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone

2-(3-propan-2-ylpyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone (PubChem CID 115688439) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(3-propan-2-ylpyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-propan-2-ylpyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
PubChem CID115688439
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(3-propan-2-ylpyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
SMILESCC(C)C1CCN(CC(=O)c2ccc[nH]2)C1
InChIInChI=1S/C13H20N2O/c1-10(2)11-5-7-15(8-11)9-13(16)12-4-3-6-14-12/h3-4,6,10-11,14H,5,7-9H2,1-2H3
InChIKeyBWTDLYRMWHJAJK-UHFFFAOYSA-N
XLogP2.18
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-aminopyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 62068152
2-(3-methoxypyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 103535592
2-(3-methylpiperidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 43219442
2-[4-(dimethylamino)piperidin-1-yl]-1-(1H-pyrrol-2-yl)ethanone
CID 43797318
2-(3-methylpiperazin-1-yl)-1-(1H-pyrrol-2-yl)ethanone;hydrochloride
CID 71639358
2-[3-(hydroxymethyl)azetidin-1-yl]-1-(1H-pyrrol-2-yl)ethanone
CID 71650111
tert-butyl N-[[(3S)-1-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate
CID 97174691
1-(5-ethylthiophen-2-yl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone
CID 113418108
2-(4,4-dimethylazepan-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 65282626
1-phenyl-3-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 115928063
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 55235951
1-cyclopentyl-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone
CID 104751088

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylpyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone?
The IUPAC name of 2-(3-propan-2-ylpyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone (CID 115688439) is 2-(3-propan-2-ylpyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 2-(3-propan-2-ylpyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 2-(3-propan-2-ylpyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone is CC(C)C1CCN(CC(=O)c2ccc[nH]2)C1.
What is the InChIKey of 2-(3-propan-2-ylpyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone?
The InChIKey is BWTDLYRMWHJAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)11-5-7-15(8-11)9-13(16)12-4-3-6-14-12/h3-4,6,10-11,14H,5,7-9H2,1-2H3.
What are the key properties of 2-(3-propan-2-ylpyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone?
2-(3-propan-2-ylpyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone has a molecular weight of 220.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylpyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 115688439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).