(3R,4R)-4-methylpyrrolidin-3-ol;hydrochloride

C5H12ClNO — CID 67314821

IUPAC(3R,4R)-4-methylpyrrolidin-3-ol;hydrochloride
SMILESC[C@@H]1CNC[C@@H]1O.Cl
InChIInChI=1S/C5H11NO.ClH/c1-4-2-6-3-5(4)7;/h4-7H,2-3H2,1H3;1H/t4-,5+;/m1./s1
InChIKeyVBEGDUJNLVSIES-JBUOLDKXSA-N
MW137.61 g/mol
LogP0.01
Rot. Bonds

About (3R,4R)-4-methylpyrrolidin-3-ol;hydrochloride

(3R,4R)-4-methylpyrrolidin-3-ol;hydrochloride (PubChem CID 67314821) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is (3R,4R)-4-methylpyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name(3R,4R)-4-methylpyrrolidin-3-ol;hydrochloride
PubChem CID67314821
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC Name(3R,4R)-4-methylpyrrolidin-3-ol;hydrochloride
SMILESC[C@@H]1CNC[C@@H]1O.Cl
InChIInChI=1S/C5H11NO.ClH/c1-4-2-6-3-5(4)7;/h4-7H,2-3H2,1H3;1H/t4-,5+;/m1./s1
InChIKeyVBEGDUJNLVSIES-JBUOLDKXSA-N
XLogP0.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.61
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-methylpyrrolidin-3-ol;hydrochloride?
The IUPAC name of (3R,4R)-4-methylpyrrolidin-3-ol;hydrochloride (CID 67314821) is (3R,4R)-4-methylpyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for (3R,4R)-4-methylpyrrolidin-3-ol;hydrochloride?
The canonical SMILES for (3R,4R)-4-methylpyrrolidin-3-ol;hydrochloride is C[C@@H]1CNC[C@@H]1O.Cl.
What is the InChIKey of (3R,4R)-4-methylpyrrolidin-3-ol;hydrochloride?
The InChIKey is VBEGDUJNLVSIES-JBUOLDKXSA-N. The full InChI is InChI=1S/C5H11NO.ClH/c1-4-2-6-3-5(4)7;/h4-7H,2-3H2,1H3;1H/t4-,5+;/m1./s1.
What are the key properties of (3R,4R)-4-methylpyrrolidin-3-ol;hydrochloride?
(3R,4R)-4-methylpyrrolidin-3-ol;hydrochloride has a molecular weight of 137.61 g/mol, XLogP of 0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-methylpyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 67314821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).