(3S)-3-methylpyrrolidine;hydrochloride

C5H12ClN — CID 44828593

IUPAC(3S)-3-methylpyrrolidine;hydrochloride
SMILESC[C@H]1CCNC1.Cl
InChIInChI=1S/C5H11N.ClH/c1-5-2-3-6-4-5;/h5-6H,2-4H2,1H3;1H/t5-;/m0./s1
InChIKeyJDJFUMBJQINVKP-JEDNCBNOSA-N
MW121.61 g/mol
LogP1.04
Rot. Bonds

About (3S)-3-methylpyrrolidine;hydrochloride

(3S)-3-methylpyrrolidine;hydrochloride (PubChem CID 44828593) has the molecular formula C5H12ClN and a molecular weight of 121.61 g/mol. Its IUPAC name is (3S)-3-methylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name(3S)-3-methylpyrrolidine;hydrochloride
PubChem CID44828593
Molecular FormulaC5H12ClN
Molecular Weight121.61 g/mol
Exact Mass121.07
IUPAC Name(3S)-3-methylpyrrolidine;hydrochloride
SMILESC[C@H]1CCNC1.Cl
InChIInChI=1S/C5H11N.ClH/c1-5-2-3-6-4-5;/h5-6H,2-4H2,1H3;1H/t5-;/m0./s1
InChIKeyJDJFUMBJQINVKP-JEDNCBNOSA-N
XLogP1.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.61
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methylpyrrolidine;hydrochloride?
The IUPAC name of (3S)-3-methylpyrrolidine;hydrochloride (CID 44828593) is (3S)-3-methylpyrrolidine;hydrochloride.
What is the SMILES notation for (3S)-3-methylpyrrolidine;hydrochloride?
The canonical SMILES for (3S)-3-methylpyrrolidine;hydrochloride is C[C@H]1CCNC1.Cl.
What is the InChIKey of (3S)-3-methylpyrrolidine;hydrochloride?
The InChIKey is JDJFUMBJQINVKP-JEDNCBNOSA-N. The full InChI is InChI=1S/C5H11N.ClH/c1-5-2-3-6-4-5;/h5-6H,2-4H2,1H3;1H/t5-;/m0./s1.
What are the key properties of (3S)-3-methylpyrrolidine;hydrochloride?
(3S)-3-methylpyrrolidine;hydrochloride has a molecular weight of 121.61 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methylpyrrolidine;hydrochloride is sourced from PubChem (CID 44828593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).