(2S)-2-propan-2-ylpyrrolidine;hydrochloride

C7H16ClN — CID 91810243

IUPAC(2S)-2-propan-2-ylpyrrolidine;hydrochloride
SMILESCC(C)[C@@H]1CCCN1.Cl
InChIInChI=1S/C7H15N.ClH/c1-6(2)7-4-3-5-8-7;/h6-8H,3-5H2,1-2H3;1H/t7-;/m0./s1
InChIKeyCDMWOCOXYGUROI-FJXQXJEOSA-N
MW149.66 g/mol
LogP1.82
Rot. Bonds1

About (2S)-2-propan-2-ylpyrrolidine;hydrochloride

(2S)-2-propan-2-ylpyrrolidine;hydrochloride (PubChem CID 91810243) has the molecular formula C7H16ClN and a molecular weight of 149.66 g/mol. Its IUPAC name is (2S)-2-propan-2-ylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-propan-2-ylpyrrolidine;hydrochloride
PubChem CID91810243
Molecular FormulaC7H16ClN
Molecular Weight149.66 g/mol
Exact Mass149.10
IUPAC Name(2S)-2-propan-2-ylpyrrolidine;hydrochloride
SMILESCC(C)[C@@H]1CCCN1.Cl
InChIInChI=1S/C7H15N.ClH/c1-6(2)7-4-3-5-8-7;/h6-8H,3-5H2,1-2H3;1H/t7-;/m0./s1
InChIKeyCDMWOCOXYGUROI-FJXQXJEOSA-N
XLogP1.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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 (2S)-2-propan-2-ylpyrrolidine;hydrochloride?
The IUPAC name of (2S)-2-propan-2-ylpyrrolidine;hydrochloride (CID 91810243) is (2S)-2-propan-2-ylpyrrolidine;hydrochloride.
What is the SMILES notation for (2S)-2-propan-2-ylpyrrolidine;hydrochloride?
The canonical SMILES for (2S)-2-propan-2-ylpyrrolidine;hydrochloride is CC(C)[C@@H]1CCCN1.Cl.
What is the InChIKey of (2S)-2-propan-2-ylpyrrolidine;hydrochloride?
The InChIKey is CDMWOCOXYGUROI-FJXQXJEOSA-N. The full InChI is InChI=1S/C7H15N.ClH/c1-6(2)7-4-3-5-8-7;/h6-8H,3-5H2,1-2H3;1H/t7-;/m0./s1.
What are the key properties of (2S)-2-propan-2-ylpyrrolidine;hydrochloride?
(2S)-2-propan-2-ylpyrrolidine;hydrochloride has a molecular weight of 149.66 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-propan-2-ylpyrrolidine;hydrochloride is sourced from PubChem (CID 91810243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).