1-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyrrole

C11H18N2 — CID 23396939

IUPAC1-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyrrole
SMILESCC1CCN(Cc2cccn2C)C1
InChIInChI=1S/C11H18N2/c1-10-5-7-13(8-10)9-11-4-3-6-12(11)2/h3-4,6,10H,5,7-9H2,1-2H3
InChIKeyYNMVWSCFIYGBRC-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.87
Rot. Bonds2

About 1-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyrrole

1-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyrrole (PubChem CID 23396939) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyrrole.

Molecular Properties

Compound Name1-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyrrole
PubChem CID23396939
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyrrole
SMILESCC1CCN(Cc2cccn2C)C1
InChIInChI=1S/C11H18N2/c1-10-5-7-13(8-10)9-11-4-3-6-12(11)2/h3-4,6,10H,5,7-9H2,1-2H3
InChIKeyYNMVWSCFIYGBRC-UHFFFAOYSA-N
XLogP1.87
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyrrole?
The IUPAC name of 1-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyrrole (CID 23396939) is 1-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyrrole.
What is the SMILES notation for 1-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyrrole?
The canonical SMILES for 1-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyrrole is CC1CCN(Cc2cccn2C)C1.
What is the InChIKey of 1-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyrrole?
The InChIKey is YNMVWSCFIYGBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-10-5-7-13(8-10)9-11-4-3-6-12(11)2/h3-4,6,10H,5,7-9H2,1-2H3.
What are the key properties of 1-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyrrole?
1-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyrrole has a molecular weight of 178.28 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyrrole is sourced from PubChem (CID 23396939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).