1-(2-hydroxy-3-methylpentan-3-yl)-4-methylpyrrolidin-3-ol

C11H23NO2 — CID 131142340

IUPAC1-(2-hydroxy-3-methylpentan-3-yl)-4-methylpyrrolidin-3-ol
SMILESCCC(C)(C(C)O)N1CC(C)C(O)C1
InChIInChI=1S/C11H23NO2/c1-5-11(4,9(3)13)12-6-8(2)10(14)7-12/h8-10,13-14H,5-7H2,1-4H3
InChIKeyGGGQPWNXPPKLKD-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.85
Rot. Bonds3

About 1-(2-hydroxy-3-methylpentan-3-yl)-4-methylpyrrolidin-3-ol

1-(2-hydroxy-3-methylpentan-3-yl)-4-methylpyrrolidin-3-ol (PubChem CID 131142340) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methylpentan-3-yl)-4-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-hydroxy-3-methylpentan-3-yl)-4-methylpyrrolidin-3-ol
PubChem CID131142340
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-(2-hydroxy-3-methylpentan-3-yl)-4-methylpyrrolidin-3-ol
SMILESCCC(C)(C(C)O)N1CC(C)C(O)C1
InChIInChI=1S/C11H23NO2/c1-5-11(4,9(3)13)12-6-8(2)10(14)7-12/h8-10,13-14H,5-7H2,1-4H3
InChIKeyGGGQPWNXPPKLKD-UHFFFAOYSA-N
XLogP0.85
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methylpentan-3-yl)-4-methylpyrrolidin-3-ol?
The IUPAC name of 1-(2-hydroxy-3-methylpentan-3-yl)-4-methylpyrrolidin-3-ol (CID 131142340) is 1-(2-hydroxy-3-methylpentan-3-yl)-4-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(2-hydroxy-3-methylpentan-3-yl)-4-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(2-hydroxy-3-methylpentan-3-yl)-4-methylpyrrolidin-3-ol is CCC(C)(C(C)O)N1CC(C)C(O)C1.
What is the InChIKey of 1-(2-hydroxy-3-methylpentan-3-yl)-4-methylpyrrolidin-3-ol?
The InChIKey is GGGQPWNXPPKLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-11(4,9(3)13)12-6-8(2)10(14)7-12/h8-10,13-14H,5-7H2,1-4H3.
What are the key properties of 1-(2-hydroxy-3-methylpentan-3-yl)-4-methylpyrrolidin-3-ol?
1-(2-hydroxy-3-methylpentan-3-yl)-4-methylpyrrolidin-3-ol has a molecular weight of 201.31 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methylpentan-3-yl)-4-methylpyrrolidin-3-ol is sourced from PubChem (CID 131142340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).