1-methyl-2-[(2R)-pyrrolidin-1-ium-2-yl]pyrrole

C9H15N2+ — CID 7128654

IUPAC1-methyl-2-[(2R)-pyrrolidin-1-ium-2-yl]pyrrole
SMILESCn1cccc1[C@H]1CCC[NH2+]1
InChIInChI=1S/C9H14N2/c1-11-7-3-5-9(11)8-4-2-6-10-8/h3,5,7-8,10H,2,4,6H2,1H3/p+1/t8-/m1/s1
InChIKeyLPQOQICHBQVFGC-MRVPVSSYSA-O
MW151.23 g/mol
LogP0.42
Rot. Bonds1

About 1-methyl-2-[(2R)-pyrrolidin-1-ium-2-yl]pyrrole

1-methyl-2-[(2R)-pyrrolidin-1-ium-2-yl]pyrrole (PubChem CID 7128654) has the molecular formula C9H15N2+ and a molecular weight of 151.23 g/mol. Its IUPAC name is 1-methyl-2-[(2R)-pyrrolidin-1-ium-2-yl]pyrrole.

Molecular Properties

Compound Name1-methyl-2-[(2R)-pyrrolidin-1-ium-2-yl]pyrrole
PubChem CID7128654
Molecular FormulaC9H15N2+
Molecular Weight151.23 g/mol
Exact Mass151.12
IUPAC Name1-methyl-2-[(2R)-pyrrolidin-1-ium-2-yl]pyrrole
SMILESCn1cccc1[C@H]1CCC[NH2+]1
InChIInChI=1S/C9H14N2/c1-11-7-3-5-9(11)8-4-2-6-10-8/h3,5,7-8,10H,2,4,6H2,1H3/p+1/t8-/m1/s1
InChIKeyLPQOQICHBQVFGC-MRVPVSSYSA-O
XLogP0.42
TPSA21.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Betahistine
CID 2366
2-Methylpyrrole
CID 12489
Pyridine, 2-(2-(methylamino)ethyl)-, hydrochloride
CID 203875
N-methyl-1-(pyridin-2-yl)methanamine
CID 88757
N-(2-benzyl),N-(1-methylpyrrol-2-ylmethyl)amine
CID 2222065
dimethyl[(1H-pyrrol-2-yl)methyl]amine
CID 260796
(2-Aminoethyl)(pyridin-2-ylmethyl)amine
CID 12677274
2-Ethylpyrrole
CID 137075
2-(Pyridin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 9837971
(1S,4S)-2-(Pyridin-3-YL)-2,5-diazabicyclo[2.2.1]heptane
CID 16747994
(1R,4R)-2-pyridin-3-yl-2,5-diazabicyclo[2.2.1]heptane
CID 16748111
methyl[(1-methyl-1H-pyrrol-2-yl)methyl]amine
CID 1096385

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(2R)-pyrrolidin-1-ium-2-yl]pyrrole?
The IUPAC name of 1-methyl-2-[(2R)-pyrrolidin-1-ium-2-yl]pyrrole (CID 7128654) is 1-methyl-2-[(2R)-pyrrolidin-1-ium-2-yl]pyrrole.
What is the SMILES notation for 1-methyl-2-[(2R)-pyrrolidin-1-ium-2-yl]pyrrole?
The canonical SMILES for 1-methyl-2-[(2R)-pyrrolidin-1-ium-2-yl]pyrrole is Cn1cccc1[C@H]1CCC[NH2+]1.
What is the InChIKey of 1-methyl-2-[(2R)-pyrrolidin-1-ium-2-yl]pyrrole?
The InChIKey is LPQOQICHBQVFGC-MRVPVSSYSA-O. The full InChI is InChI=1S/C9H14N2/c1-11-7-3-5-9(11)8-4-2-6-10-8/h3,5,7-8,10H,2,4,6H2,1H3/p+1/t8-/m1/s1.
What are the key properties of 1-methyl-2-[(2R)-pyrrolidin-1-ium-2-yl]pyrrole?
1-methyl-2-[(2R)-pyrrolidin-1-ium-2-yl]pyrrole has a molecular weight of 151.23 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(2R)-pyrrolidin-1-ium-2-yl]pyrrole is sourced from PubChem (CID 7128654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).