(3R,4R)-4-(2-ethyl-5-methylpyrrolidin-1-yl)pyrrolidin-3-ol

C11H22N2O — CID 122236717

IUPAC(3R,4R)-4-(2-ethyl-5-methylpyrrolidin-1-yl)pyrrolidin-3-ol
SMILESCCC1CCC(C)N1[C@@H]1CNC[C@H]1O
InChIInChI=1S/C11H22N2O/c1-3-9-5-4-8(2)13(9)10-6-12-7-11(10)14/h8-12,14H,3-7H2,1-2H3/t8?,9?,10-,11-/m1/s1
InChIKeyIGLXACIUEVZLEY-JPPWEJMLSA-N
MW198.31 g/mol
LogP0.58
Rot. Bonds2

About (3R,4R)-4-(2-ethyl-5-methylpyrrolidin-1-yl)pyrrolidin-3-ol

(3R,4R)-4-(2-ethyl-5-methylpyrrolidin-1-yl)pyrrolidin-3-ol (PubChem CID 122236717) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (3R,4R)-4-(2-ethyl-5-methylpyrrolidin-1-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(2-ethyl-5-methylpyrrolidin-1-yl)pyrrolidin-3-ol
PubChem CID122236717
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(3R,4R)-4-(2-ethyl-5-methylpyrrolidin-1-yl)pyrrolidin-3-ol
SMILESCCC1CCC(C)N1[C@@H]1CNC[C@H]1O
InChIInChI=1S/C11H22N2O/c1-3-9-5-4-8(2)13(9)10-6-12-7-11(10)14/h8-12,14H,3-7H2,1-2H3/t8?,9?,10-,11-/m1/s1
InChIKeyIGLXACIUEVZLEY-JPPWEJMLSA-N
XLogP0.58
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-4-(2,5-dimethylpyrrolidin-1-yl)pyrrolidin-3-ol;hydrochloride
CID 130610051
2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclododecan-1-ol
CID 83220364
4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)cyclohexan-1-ol
CID 83221424
(3R,4R)-4-(3,5-dimethylmorpholin-4-yl)pyrrolidin-3-ol;hydrochloride
CID 130652560
(3R,4R)-4-(2-ethyl-4-methylpyrrolidin-1-yl)pyrrolidin-3-ol;hydrochloride
CID 130978892
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 83221338
(3R,4R)-4-(8-azabicyclo[3.2.1]octan-8-yl)pyrrolidin-3-ol
CID 122237052
azetidin-3-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83227277
2-(2-ethyl-5-methylpyrrolidin-1-yl)cycloheptane-1-carbonitrile
CID 83227821
4-(4-ethylpiperazin-1-yl)pyrrolidin-3-ol
CID 63704462
5-(2-ethyl-5-methylpyrrolidin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 103983588
4-(3,5-dimethylpiperidin-1-yl)pyrrolidin-3-ol
CID 63703405

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(2-ethyl-5-methylpyrrolidin-1-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-(2-ethyl-5-methylpyrrolidin-1-yl)pyrrolidin-3-ol (CID 122236717) is (3R,4R)-4-(2-ethyl-5-methylpyrrolidin-1-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(2-ethyl-5-methylpyrrolidin-1-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-(2-ethyl-5-methylpyrrolidin-1-yl)pyrrolidin-3-ol is CCC1CCC(C)N1[C@@H]1CNC[C@H]1O.
What is the InChIKey of (3R,4R)-4-(2-ethyl-5-methylpyrrolidin-1-yl)pyrrolidin-3-ol?
The InChIKey is IGLXACIUEVZLEY-JPPWEJMLSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-9-5-4-8(2)13(9)10-6-12-7-11(10)14/h8-12,14H,3-7H2,1-2H3/t8?,9?,10-,11-/m1/s1.
What are the key properties of (3R,4R)-4-(2-ethyl-5-methylpyrrolidin-1-yl)pyrrolidin-3-ol?
(3R,4R)-4-(2-ethyl-5-methylpyrrolidin-1-yl)pyrrolidin-3-ol has a molecular weight of 198.31 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(2-ethyl-5-methylpyrrolidin-1-yl)pyrrolidin-3-ol is sourced from PubChem (CID 122236717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).