2-(3-methylpyrrolidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone

C12H18N2O — CID 61226801

IUPAC2-(3-methylpyrrolidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
SMILESCC1CCN(CC(=O)c2ccn(C)c2)C1
InChIInChI=1S/C12H18N2O/c1-10-3-6-14(7-10)9-12(15)11-4-5-13(2)8-11/h4-5,8,10H,3,6-7,9H2,1-2H3
InChIKeyGUGBAVHQDABQOX-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.55
Rot. Bonds3

About 2-(3-methylpyrrolidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone

2-(3-methylpyrrolidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone (PubChem CID 61226801) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(3-methylpyrrolidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(3-methylpyrrolidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
PubChem CID61226801
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(3-methylpyrrolidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
SMILESCC1CCN(CC(=O)c2ccn(C)c2)C1
InChIInChI=1S/C12H18N2O/c1-10-3-6-14(7-10)9-12(15)11-4-5-13(2)8-11/h4-5,8,10H,3,6-7,9H2,1-2H3
InChIKeyGUGBAVHQDABQOX-UHFFFAOYSA-N
XLogP1.55
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrrolidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone?
The IUPAC name of 2-(3-methylpyrrolidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone (CID 61226801) is 2-(3-methylpyrrolidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(3-methylpyrrolidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-(3-methylpyrrolidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone is CC1CCN(CC(=O)c2ccn(C)c2)C1.
What is the InChIKey of 2-(3-methylpyrrolidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone?
The InChIKey is GUGBAVHQDABQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10-3-6-14(7-10)9-12(15)11-4-5-13(2)8-11/h4-5,8,10H,3,6-7,9H2,1-2H3.
What are the key properties of 2-(3-methylpyrrolidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone?
2-(3-methylpyrrolidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone has a molecular weight of 206.29 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrrolidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone is sourced from PubChem (CID 61226801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).