2-(3,4-dimethylpyrrolidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone

C13H20N2O — CID 79187889

IUPAC2-(3,4-dimethylpyrrolidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
SMILESCC1CN(CC(=O)c2ccn(C)c2)CC1C
InChIInChI=1S/C13H20N2O/c1-10-6-15(7-11(10)2)9-13(16)12-4-5-14(3)8-12/h4-5,8,10-11H,6-7,9H2,1-3H3
InChIKeyZNLUAHIQTOLJEX-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.80
Rot. Bonds3

About 2-(3,4-dimethylpyrrolidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone

2-(3,4-dimethylpyrrolidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone (PubChem CID 79187889) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(3,4-dimethylpyrrolidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethylpyrrolidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
PubChem CID79187889
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(3,4-dimethylpyrrolidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
SMILESCC1CN(CC(=O)c2ccn(C)c2)CC1C
InChIInChI=1S/C13H20N2O/c1-10-6-15(7-11(10)2)9-13(16)12-4-5-14(3)8-12/h4-5,8,10-11H,6-7,9H2,1-3H3
InChIKeyZNLUAHIQTOLJEX-UHFFFAOYSA-N
XLogP1.80
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Acetyl-1-methylpyrrole
CID 523057
1-(1,2-Dimethyl-1H-pyrrol-3-yl)ethanone
CID 13806152
2,2,2-trifluoro-1-(1-methyl-1H-pyrrol-3-yl)ethan-1-one
CID 14968208
1-(1,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one
CID 57737807
3-Acetyl-1-ethenylpyrrole
CID 10606786
1-(1-Butyl-1H-pyrrol-3-yl)ethanone
CID 15112379
1-(1-Isobutyl-1H-pyrrol-3-yl)ethanone
CID 15112380
1-(1-(tert-butyl)-1H-pyrrol-3-yl)ethanone
CID 15112382
1-(1-tert-Butyl-1H-pyrrol-3-yl)-2,2,2-trifluoroethan-1-one
CID 45081189
1-(1-(sec-Butyl)-1H-pyrrol-3-yl)ethanone
CID 15112381
1-(1-(3-Hydroxypropyl)-1H-pyrrol-3-yl)ethanone
CID 15112383
1-Triisopropylsilyl-3-acetylpyrrole
CID 14247121

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone?
The IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone (CID 79187889) is 2-(3,4-dimethylpyrrolidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(3,4-dimethylpyrrolidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-(3,4-dimethylpyrrolidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone is CC1CN(CC(=O)c2ccn(C)c2)CC1C.
What is the InChIKey of 2-(3,4-dimethylpyrrolidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone?
The InChIKey is ZNLUAHIQTOLJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-6-15(7-11(10)2)9-13(16)12-4-5-14(3)8-12/h4-5,8,10-11H,6-7,9H2,1-3H3.
What are the key properties of 2-(3,4-dimethylpyrrolidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone?
2-(3,4-dimethylpyrrolidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone has a molecular weight of 220.32 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpyrrolidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone is sourced from PubChem (CID 79187889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).