(3R,4R)-4-(3-propan-2-ylpyrrolidin-1-yl)pyrrolidin-3-ol

C11H22N2O — CID 122236872

IUPAC(3R,4R)-4-(3-propan-2-ylpyrrolidin-1-yl)pyrrolidin-3-ol
SMILESCC(C)C1CCN([C@@H]2CNC[C@H]2O)C1
InChIInChI=1S/C11H22N2O/c1-8(2)9-3-4-13(7-9)10-5-12-6-11(10)14/h8-12,14H,3-7H2,1-2H3/t9?,10-,11-/m1/s1
InChIKeyPXKJMUPOQGJYNM-FHZGLPGMSA-N
MW198.31 g/mol
LogP0.30
Rot. Bonds2

About (3R,4R)-4-(3-propan-2-ylpyrrolidin-1-yl)pyrrolidin-3-ol

(3R,4R)-4-(3-propan-2-ylpyrrolidin-1-yl)pyrrolidin-3-ol (PubChem CID 122236872) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (3R,4R)-4-(3-propan-2-ylpyrrolidin-1-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(3-propan-2-ylpyrrolidin-1-yl)pyrrolidin-3-ol
PubChem CID122236872
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(3R,4R)-4-(3-propan-2-ylpyrrolidin-1-yl)pyrrolidin-3-ol
SMILESCC(C)C1CCN([C@@H]2CNC[C@H]2O)C1
InChIInChI=1S/C11H22N2O/c1-8(2)9-3-4-13(7-9)10-5-12-6-11(10)14/h8-12,14H,3-7H2,1-2H3/t9?,10-,11-/m1/s1
InChIKeyPXKJMUPOQGJYNM-FHZGLPGMSA-N
XLogP0.30
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 ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(3-propan-2-ylpyrrolidin-1-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-(3-propan-2-ylpyrrolidin-1-yl)pyrrolidin-3-ol (CID 122236872) is (3R,4R)-4-(3-propan-2-ylpyrrolidin-1-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(3-propan-2-ylpyrrolidin-1-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-(3-propan-2-ylpyrrolidin-1-yl)pyrrolidin-3-ol is CC(C)C1CCN([C@@H]2CNC[C@H]2O)C1.
What is the InChIKey of (3R,4R)-4-(3-propan-2-ylpyrrolidin-1-yl)pyrrolidin-3-ol?
The InChIKey is PXKJMUPOQGJYNM-FHZGLPGMSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(2)9-3-4-13(7-9)10-5-12-6-11(10)14/h8-12,14H,3-7H2,1-2H3/t9?,10-,11-/m1/s1.
What are the key properties of (3R,4R)-4-(3-propan-2-ylpyrrolidin-1-yl)pyrrolidin-3-ol?
(3R,4R)-4-(3-propan-2-ylpyrrolidin-1-yl)pyrrolidin-3-ol has a molecular weight of 198.31 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(3-propan-2-ylpyrrolidin-1-yl)pyrrolidin-3-ol is sourced from PubChem (CID 122236872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).