1-(3-hydroxy-2,2-dimethylbutyl)-4-methylpyrrolidin-3-ol

C11H23NO2 — CID 131026005

IUPAC1-(3-hydroxy-2,2-dimethylbutyl)-4-methylpyrrolidin-3-ol
SMILESCC1CN(CC(C)(C)C(C)O)CC1O
InChIInChI=1S/C11H23NO2/c1-8-5-12(6-10(8)14)7-11(3,4)9(2)13/h8-10,13-14H,5-7H2,1-4H3
InChIKeySVKAXYXQAOSTQR-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.71
Rot. Bonds3

About 1-(3-hydroxy-2,2-dimethylbutyl)-4-methylpyrrolidin-3-ol

1-(3-hydroxy-2,2-dimethylbutyl)-4-methylpyrrolidin-3-ol (PubChem CID 131026005) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(3-hydroxy-2,2-dimethylbutyl)-4-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-hydroxy-2,2-dimethylbutyl)-4-methylpyrrolidin-3-ol
PubChem CID131026005
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-(3-hydroxy-2,2-dimethylbutyl)-4-methylpyrrolidin-3-ol
SMILESCC1CN(CC(C)(C)C(C)O)CC1O
InChIInChI=1S/C11H23NO2/c1-8-5-12(6-10(8)14)7-11(3,4)9(2)13/h8-10,13-14H,5-7H2,1-4H3
InChIKeySVKAXYXQAOSTQR-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2,2-dimethylbutyl)-4-methylpyrrolidin-3-ol?
The IUPAC name of 1-(3-hydroxy-2,2-dimethylbutyl)-4-methylpyrrolidin-3-ol (CID 131026005) is 1-(3-hydroxy-2,2-dimethylbutyl)-4-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(3-hydroxy-2,2-dimethylbutyl)-4-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(3-hydroxy-2,2-dimethylbutyl)-4-methylpyrrolidin-3-ol is CC1CN(CC(C)(C)C(C)O)CC1O.
What is the InChIKey of 1-(3-hydroxy-2,2-dimethylbutyl)-4-methylpyrrolidin-3-ol?
The InChIKey is SVKAXYXQAOSTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-8-5-12(6-10(8)14)7-11(3,4)9(2)13/h8-10,13-14H,5-7H2,1-4H3.
What are the key properties of 1-(3-hydroxy-2,2-dimethylbutyl)-4-methylpyrrolidin-3-ol?
1-(3-hydroxy-2,2-dimethylbutyl)-4-methylpyrrolidin-3-ol has a molecular weight of 201.31 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2,2-dimethylbutyl)-4-methylpyrrolidin-3-ol is sourced from PubChem (CID 131026005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).