5-tert-butyl-5-methylpyrrolidin-3-ol

C9H19NO — CID 115012296

IUPAC5-tert-butyl-5-methylpyrrolidin-3-ol
SMILESCC(C)(C)C1(C)CC(O)CN1
InChIInChI=1S/C9H19NO/c1-8(2,3)9(4)5-7(11)6-10-9/h7,10-11H,5-6H2,1-4H3
InChIKeyGNDXTURTPVISML-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.15
Rot. Bonds

About 5-tert-butyl-5-methylpyrrolidin-3-ol

5-tert-butyl-5-methylpyrrolidin-3-ol (PubChem CID 115012296) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 5-tert-butyl-5-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name5-tert-butyl-5-methylpyrrolidin-3-ol
PubChem CID115012296
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name5-tert-butyl-5-methylpyrrolidin-3-ol
SMILESCC(C)(C)C1(C)CC(O)CN1
InChIInChI=1S/C9H19NO/c1-8(2,3)9(4)5-7(11)6-10-9/h7,10-11H,5-6H2,1-4H3
InChIKeyGNDXTURTPVISML-UHFFFAOYSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-5-methylpyrrolidin-3-ol?
The IUPAC name of 5-tert-butyl-5-methylpyrrolidin-3-ol (CID 115012296) is 5-tert-butyl-5-methylpyrrolidin-3-ol.
What is the SMILES notation for 5-tert-butyl-5-methylpyrrolidin-3-ol?
The canonical SMILES for 5-tert-butyl-5-methylpyrrolidin-3-ol is CC(C)(C)C1(C)CC(O)CN1.
What is the InChIKey of 5-tert-butyl-5-methylpyrrolidin-3-ol?
The InChIKey is GNDXTURTPVISML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2,3)9(4)5-7(11)6-10-9/h7,10-11H,5-6H2,1-4H3.
What are the key properties of 5-tert-butyl-5-methylpyrrolidin-3-ol?
5-tert-butyl-5-methylpyrrolidin-3-ol has a molecular weight of 157.26 g/mol, XLogP of 1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-5-methylpyrrolidin-3-ol is sourced from PubChem (CID 115012296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).