(3R,4R)-4-(2,5-dimethylpyrrolidin-1-yl)pyrrolidin-3-ol;hydrochloride

C10H21ClN2O — CID 130610051

IUPAC(3R,4R)-4-(2,5-dimethylpyrrolidin-1-yl)pyrrolidin-3-ol;hydrochloride
SMILESCC1CCC(C)N1[C@@H]1CNC[C@H]1O.Cl
InChIInChI=1S/C10H20N2O.ClH/c1-7-3-4-8(2)12(7)9-5-11-6-10(9)13;/h7-11,13H,3-6H2,1-2H3;1H/t7?,8?,9-,10-;/m1./s1
InChIKeyNSCFTTLWSWRHDI-FJEDJHNJSA-N
MW220.74 g/mol
LogP0.61
Rot. Bonds1

About (3R,4R)-4-(2,5-dimethylpyrrolidin-1-yl)pyrrolidin-3-ol;hydrochloride

(3R,4R)-4-(2,5-dimethylpyrrolidin-1-yl)pyrrolidin-3-ol;hydrochloride (PubChem CID 130610051) has the molecular formula C10H21ClN2O and a molecular weight of 220.74 g/mol. Its IUPAC name is (3R,4R)-4-(2,5-dimethylpyrrolidin-1-yl)pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name(3R,4R)-4-(2,5-dimethylpyrrolidin-1-yl)pyrrolidin-3-ol;hydrochloride
PubChem CID130610051
Molecular FormulaC10H21ClN2O
Molecular Weight220.74 g/mol
Exact Mass220.13
IUPAC Name(3R,4R)-4-(2,5-dimethylpyrrolidin-1-yl)pyrrolidin-3-ol;hydrochloride
SMILESCC1CCC(C)N1[C@@H]1CNC[C@H]1O.Cl
InChIInChI=1S/C10H20N2O.ClH/c1-7-3-4-8(2)12(7)9-5-11-6-10(9)13;/h7-11,13H,3-6H2,1-2H3;1H/t7?,8?,9-,10-;/m1./s1
InChIKeyNSCFTTLWSWRHDI-FJEDJHNJSA-N
XLogP0.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(2,5-dimethylpyrrolidin-1-yl)pyrrolidin-3-ol;hydrochloride?
The IUPAC name of (3R,4R)-4-(2,5-dimethylpyrrolidin-1-yl)pyrrolidin-3-ol;hydrochloride (CID 130610051) is (3R,4R)-4-(2,5-dimethylpyrrolidin-1-yl)pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for (3R,4R)-4-(2,5-dimethylpyrrolidin-1-yl)pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for (3R,4R)-4-(2,5-dimethylpyrrolidin-1-yl)pyrrolidin-3-ol;hydrochloride is CC1CCC(C)N1[C@@H]1CNC[C@H]1O.Cl.
What is the InChIKey of (3R,4R)-4-(2,5-dimethylpyrrolidin-1-yl)pyrrolidin-3-ol;hydrochloride?
The InChIKey is NSCFTTLWSWRHDI-FJEDJHNJSA-N. The full InChI is InChI=1S/C10H20N2O.ClH/c1-7-3-4-8(2)12(7)9-5-11-6-10(9)13;/h7-11,13H,3-6H2,1-2H3;1H/t7?,8?,9-,10-;/m1./s1.
What are the key properties of (3R,4R)-4-(2,5-dimethylpyrrolidin-1-yl)pyrrolidin-3-ol;hydrochloride?
(3R,4R)-4-(2,5-dimethylpyrrolidin-1-yl)pyrrolidin-3-ol;hydrochloride has a molecular weight of 220.74 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(2,5-dimethylpyrrolidin-1-yl)pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 130610051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).