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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Related Compounds

[(3S)-1-[(1-methylpyrrol-2-yl)methyl]piperidin-3-yl]methanol
CID 95857163
2-[[3-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrrole
CID 75482891
4-methyl-2-[1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine
CID 110103691
4-methyl-2-[(3R)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine
CID 124947102
5-cyclopropyl-2-[(1-methylpyrrol-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121185597
(3R)-1-benzyl-3-methylpyrrolidine;propane
CID 159003320
(3aR,7aS)-1-(2-methoxyethyl)-5-[(1-methylpyrrol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one
CID 120949111
1-[(1-methylpyrrol-2-yl)methyl]-4-(oxetan-3-yl)piperazine
CID 150371649
3-(4-methyl-1H-pyrazol-5-yl)-1-[(1-methylpyrrol-2-yl)methyl]piperidine
CID 110106266
3-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine
CID 23396966
2-methyl-6-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]oxypyridine
CID 86800334
3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]benzonitrile
CID 58395433

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).