(2S)-2-methylpyrrolidin-1-ium

C5H12N+ — CID 6999701

IUPAC(2S)-2-methylpyrrolidin-1-ium
SMILESC[C@H]1CCC[NH2+]1
InChIInChI=1S/C5H11N/c1-5-3-2-4-6-5/h5-6H,2-4H2,1H3/p+1/t5-/m0/s1
InChIKeyRGHPCLZJAFCTIK-YFKPBYRVSA-O
MW86.16 g/mol
LogP-0.27
Rot. Bonds

About (2S)-2-methylpyrrolidin-1-ium

(2S)-2-methylpyrrolidin-1-ium (PubChem CID 6999701) has the molecular formula C5H12N+ and a molecular weight of 86.16 g/mol. Its IUPAC name is (2S)-2-methylpyrrolidin-1-ium.

Molecular Properties

Compound Name(2S)-2-methylpyrrolidin-1-ium
PubChem CID6999701
Molecular FormulaC5H12N+
Molecular Weight86.16 g/mol
Exact Mass86.10
IUPAC Name(2S)-2-methylpyrrolidin-1-ium
SMILESC[C@H]1CCC[NH2+]1
InChIInChI=1S/C5H11N/c1-5-3-2-4-6-5/h5-6H,2-4H2,1H3/p+1/t5-/m0/s1
InChIKeyRGHPCLZJAFCTIK-YFKPBYRVSA-O
XLogP-0.27
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.16
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methylpyrrolidin-1-ium?
The IUPAC name of (2S)-2-methylpyrrolidin-1-ium (CID 6999701) is (2S)-2-methylpyrrolidin-1-ium.
What is the SMILES notation for (2S)-2-methylpyrrolidin-1-ium?
The canonical SMILES for (2S)-2-methylpyrrolidin-1-ium is C[C@H]1CCC[NH2+]1.
What is the InChIKey of (2S)-2-methylpyrrolidin-1-ium?
The InChIKey is RGHPCLZJAFCTIK-YFKPBYRVSA-O. The full InChI is InChI=1S/C5H11N/c1-5-3-2-4-6-5/h5-6H,2-4H2,1H3/p+1/t5-/m0/s1.
What are the key properties of (2S)-2-methylpyrrolidin-1-ium?
(2S)-2-methylpyrrolidin-1-ium has a molecular weight of 86.16 g/mol, XLogP of -0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methylpyrrolidin-1-ium is sourced from PubChem (CID 6999701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).