(2S)-1,2,4-trimethylpyrrolidine

C7H15N — CID 59864868

IUPAC(2S)-1,2,4-trimethylpyrrolidine
SMILESCC1C[C@H](C)N(C)C1
InChIInChI=1S/C7H15N/c1-6-4-7(2)8(3)5-6/h6-7H,4-5H2,1-3H3/t6?,7-/m0/s1
InChIKeySSTNJJXESKGKFV-MLWJPKLSSA-N
MW113.20 g/mol
LogP1.35
Rot. Bonds

About (2S)-1,2,4-trimethylpyrrolidine

(2S)-1,2,4-trimethylpyrrolidine (PubChem CID 59864868) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is (2S)-1,2,4-trimethylpyrrolidine.

Molecular Properties

Compound Name(2S)-1,2,4-trimethylpyrrolidine
PubChem CID59864868
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name(2S)-1,2,4-trimethylpyrrolidine
SMILESCC1C[C@H](C)N(C)C1
InChIInChI=1S/C7H15N/c1-6-4-7(2)8(3)5-6/h6-7H,4-5H2,1-3H3/t6?,7-/m0/s1
InChIKeySSTNJJXESKGKFV-MLWJPKLSSA-N
XLogP1.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,2,4-trimethylpyrrolidine?
The IUPAC name of (2S)-1,2,4-trimethylpyrrolidine (CID 59864868) is (2S)-1,2,4-trimethylpyrrolidine.
What is the SMILES notation for (2S)-1,2,4-trimethylpyrrolidine?
The canonical SMILES for (2S)-1,2,4-trimethylpyrrolidine is CC1C[C@H](C)N(C)C1.
What is the InChIKey of (2S)-1,2,4-trimethylpyrrolidine?
The InChIKey is SSTNJJXESKGKFV-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H15N/c1-6-4-7(2)8(3)5-6/h6-7H,4-5H2,1-3H3/t6?,7-/m0/s1.
What are the key properties of (2S)-1,2,4-trimethylpyrrolidine?
(2S)-1,2,4-trimethylpyrrolidine has a molecular weight of 113.20 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2,4-trimethylpyrrolidine is sourced from PubChem (CID 59864868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).