2-pyrrolidin-2-ylpropan-2-ol

C7H15NO — CID 12732176

IUPAC2-pyrrolidin-2-ylpropan-2-ol
SMILESCC(C)(O)C1CCCN1
InChIInChI=1S/C7H15NO/c1-7(2,9)6-4-3-5-8-6/h6,8-9H,3-5H2,1-2H3
InChIKeyPSXWGNIMIRRWRB-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.51
Rot. Bonds1

About 2-pyrrolidin-2-ylpropan-2-ol

2-pyrrolidin-2-ylpropan-2-ol (PubChem CID 12732176) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-pyrrolidin-2-ylpropan-2-ol.

Molecular Properties

Compound Name2-pyrrolidin-2-ylpropan-2-ol
PubChem CID12732176
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-pyrrolidin-2-ylpropan-2-ol
SMILESCC(C)(O)C1CCCN1
InChIInChI=1S/C7H15NO/c1-7(2,9)6-4-3-5-8-6/h6,8-9H,3-5H2,1-2H3
InChIKeyPSXWGNIMIRRWRB-UHFFFAOYSA-N
XLogP0.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-ylpropan-2-ol?
The IUPAC name of 2-pyrrolidin-2-ylpropan-2-ol (CID 12732176) is 2-pyrrolidin-2-ylpropan-2-ol.
What is the SMILES notation for 2-pyrrolidin-2-ylpropan-2-ol?
The canonical SMILES for 2-pyrrolidin-2-ylpropan-2-ol is CC(C)(O)C1CCCN1.
What is the InChIKey of 2-pyrrolidin-2-ylpropan-2-ol?
The InChIKey is PSXWGNIMIRRWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(2,9)6-4-3-5-8-6/h6,8-9H,3-5H2,1-2H3.
What are the key properties of 2-pyrrolidin-2-ylpropan-2-ol?
2-pyrrolidin-2-ylpropan-2-ol has a molecular weight of 129.20 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-ylpropan-2-ol is sourced from PubChem (CID 12732176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).