(4S)-2,2,4-trimethylpyrrolidine;hydrochloride

C7H16ClN — CID 121250814

IUPAC(4S)-2,2,4-trimethylpyrrolidine;hydrochloride
SMILESC[C@@H]1CNC(C)(C)C1.Cl
InChIInChI=1S/C7H15N.ClH/c1-6-4-7(2,3)8-5-6;/h6,8H,4-5H2,1-3H3;1H/t6-;/m0./s1
InChIKeyHWUWODDRROSFEJ-RGMNGODLSA-N
MW149.66 g/mol
LogP1.82
Rot. Bonds

About (4S)-2,2,4-trimethylpyrrolidine;hydrochloride

(4S)-2,2,4-trimethylpyrrolidine;hydrochloride (PubChem CID 121250814) has the molecular formula C7H16ClN and a molecular weight of 149.66 g/mol. Its IUPAC name is (4S)-2,2,4-trimethylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name(4S)-2,2,4-trimethylpyrrolidine;hydrochloride
PubChem CID121250814
Molecular FormulaC7H16ClN
Molecular Weight149.66 g/mol
Exact Mass149.10
IUPAC Name(4S)-2,2,4-trimethylpyrrolidine;hydrochloride
SMILESC[C@@H]1CNC(C)(C)C1.Cl
InChIInChI=1S/C7H15N.ClH/c1-6-4-7(2,3)8-5-6;/h6,8H,4-5H2,1-3H3;1H/t6-;/m0./s1
InChIKeyHWUWODDRROSFEJ-RGMNGODLSA-N
XLogP1.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.66
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-2,2,4-trimethylpyrrolidine;hydrochloride?
The IUPAC name of (4S)-2,2,4-trimethylpyrrolidine;hydrochloride (CID 121250814) is (4S)-2,2,4-trimethylpyrrolidine;hydrochloride.
What is the SMILES notation for (4S)-2,2,4-trimethylpyrrolidine;hydrochloride?
The canonical SMILES for (4S)-2,2,4-trimethylpyrrolidine;hydrochloride is C[C@@H]1CNC(C)(C)C1.Cl.
What is the InChIKey of (4S)-2,2,4-trimethylpyrrolidine;hydrochloride?
The InChIKey is HWUWODDRROSFEJ-RGMNGODLSA-N. The full InChI is InChI=1S/C7H15N.ClH/c1-6-4-7(2,3)8-5-6;/h6,8H,4-5H2,1-3H3;1H/t6-;/m0./s1.
What are the key properties of (4S)-2,2,4-trimethylpyrrolidine;hydrochloride?
(4S)-2,2,4-trimethylpyrrolidine;hydrochloride has a molecular weight of 149.66 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2,4-trimethylpyrrolidine;hydrochloride is sourced from PubChem (CID 121250814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).