1-phenyl-2-pyrrolidin-2-ylpropan-2-ol

C13H19NO — CID 13068803

IUPAC1-phenyl-2-pyrrolidin-2-ylpropan-2-ol
SMILESCC(O)(Cc1ccccc1)C1CCCN1
InChIInChI=1S/C13H19NO/c1-13(15,12-8-5-9-14-12)10-11-6-3-2-4-7-11/h2-4,6-7,12,14-15H,5,8-10H2,1H3
InChIKeyGDLICRZVGQTLQB-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.73
Rot. Bonds3

About 1-phenyl-2-pyrrolidin-2-ylpropan-2-ol

1-phenyl-2-pyrrolidin-2-ylpropan-2-ol (PubChem CID 13068803) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-phenyl-2-pyrrolidin-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-phenyl-2-pyrrolidin-2-ylpropan-2-ol
PubChem CID13068803
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-phenyl-2-pyrrolidin-2-ylpropan-2-ol
SMILESCC(O)(Cc1ccccc1)C1CCCN1
InChIInChI=1S/C13H19NO/c1-13(15,12-8-5-9-14-12)10-11-6-3-2-4-7-11/h2-4,6-7,12,14-15H,5,8-10H2,1H3
InChIKeyGDLICRZVGQTLQB-UHFFFAOYSA-N
XLogP1.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-pyrrolidin-2-ylpropan-2-ol?
The IUPAC name of 1-phenyl-2-pyrrolidin-2-ylpropan-2-ol (CID 13068803) is 1-phenyl-2-pyrrolidin-2-ylpropan-2-ol.
What is the SMILES notation for 1-phenyl-2-pyrrolidin-2-ylpropan-2-ol?
The canonical SMILES for 1-phenyl-2-pyrrolidin-2-ylpropan-2-ol is CC(O)(Cc1ccccc1)C1CCCN1.
What is the InChIKey of 1-phenyl-2-pyrrolidin-2-ylpropan-2-ol?
The InChIKey is GDLICRZVGQTLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(15,12-8-5-9-14-12)10-11-6-3-2-4-7-11/h2-4,6-7,12,14-15H,5,8-10H2,1H3.
What are the key properties of 1-phenyl-2-pyrrolidin-2-ylpropan-2-ol?
1-phenyl-2-pyrrolidin-2-ylpropan-2-ol has a molecular weight of 205.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-pyrrolidin-2-ylpropan-2-ol is sourced from PubChem (CID 13068803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).