2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone

C13H21N3O — CID 63163799

IUPAC2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone
SMILESCN(C)C1CCN(CC(=O)c2cccn2C)C1
InChIInChI=1S/C13H21N3O/c1-14(2)11-6-8-16(9-11)10-13(17)12-5-4-7-15(12)3/h4-5,7,11H,6,8-10H2,1-3H3
InChIKeyYDSWUNZWEPYFAG-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.84
Rot. Bonds4

About 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone

2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone (PubChem CID 63163799) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone
PubChem CID63163799
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone
SMILESCN(C)C1CCN(CC(=O)c2cccn2C)C1
InChIInChI=1S/C13H21N3O/c1-14(2)11-6-8-16(9-11)10-13(17)12-5-4-7-15(12)3/h4-5,7,11H,6,8-10H2,1-3H3
InChIKeyYDSWUNZWEPYFAG-UHFFFAOYSA-N
XLogP0.84
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-1-(1-methylpyrrol-2-yl)ethanone
CID 51675918
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-1-(1-methylpyrrol-2-yl)ethanone
CID 129428064
2-(3,4-dihydroxypyrrolidin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone
CID 106670312
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-phenylethanone
CID 63165103
2-(4-methylpiperazin-1-yl)-1-(1-methylpyrrol-2-yl)ethanone
CID 43226564
1-(1-methylpyrrol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 61242976
N-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]piperidine-3-carboxamide
CID 113234331
2-cyclopropyl-1-(1-methylpyrrol-2-yl)ethanone
CID 152565416
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(1-methylpyrrol-2-yl)ethanone
CID 63273927
2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone
CID 112841566
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(1-methylpyrrol-2-yl)ethanone
CID 60972282
1-[3-(dimethylamino)pyrrolidin-1-yl]-3-methoxypropan-2-one
CID 107507402

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone?
The IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone (CID 63163799) is 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone.
What is the SMILES notation for 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone?
The canonical SMILES for 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone is CN(C)C1CCN(CC(=O)c2cccn2C)C1.
What is the InChIKey of 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone?
The InChIKey is YDSWUNZWEPYFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-14(2)11-6-8-16(9-11)10-13(17)12-5-4-7-15(12)3/h4-5,7,11H,6,8-10H2,1-3H3.
What are the key properties of 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone?
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone has a molecular weight of 235.33 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(1-methylpyrrol-2-yl)ethanone is sourced from PubChem (CID 63163799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).