1-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]-2,3-dihydropyrrole

C11H20N2 — CID 142041417

IUPAC1-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]-2,3-dihydropyrrole
SMILESCC1CCN(CC2=CCCN2C)C1
InChIInChI=1S/C11H20N2/c1-10-5-7-13(8-10)9-11-4-3-6-12(11)2/h4,10H,3,5-9H2,1-2H3
InChIKeyBJIQYTKVEJYUIV-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.55
Rot. Bonds2

About 1-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]-2,3-dihydropyrrole

1-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]-2,3-dihydropyrrole (PubChem CID 142041417) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]-2,3-dihydropyrrole
PubChem CID142041417
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]-2,3-dihydropyrrole
SMILESCC1CCN(CC2=CCCN2C)C1
InChIInChI=1S/C11H20N2/c1-10-5-7-13(8-10)9-11-4-3-6-12(11)2/h4,10H,3,5-9H2,1-2H3
InChIKeyBJIQYTKVEJYUIV-UHFFFAOYSA-N
XLogP1.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]-2,3-dihydropyrrole?
The IUPAC name of 1-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]-2,3-dihydropyrrole (CID 142041417) is 1-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]-2,3-dihydropyrrole.
What is the SMILES notation for 1-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]-2,3-dihydropyrrole?
The canonical SMILES for 1-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]-2,3-dihydropyrrole is CC1CCN(CC2=CCCN2C)C1.
What is the InChIKey of 1-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]-2,3-dihydropyrrole?
The InChIKey is BJIQYTKVEJYUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-10-5-7-13(8-10)9-11-4-3-6-12(11)2/h4,10H,3,5-9H2,1-2H3.
What are the key properties of 1-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]-2,3-dihydropyrrole?
1-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]-2,3-dihydropyrrole has a molecular weight of 180.29 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]-2,3-dihydropyrrole is sourced from PubChem (CID 142041417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).