1-phenyl-2-pyrrolidin-2-ylethanol

C12H17NO — CID 14314267

IUPAC1-phenyl-2-pyrrolidin-2-ylethanol
SMILESOC(CC1CCCN1)c1ccccc1
InChIInChI=1S/C12H17NO/c14-12(9-11-7-4-8-13-11)10-5-2-1-3-6-10/h1-3,5-6,11-14H,4,7-9H2
InChIKeyVSDZLESKQMMKLT-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.86
Rot. Bonds3

About 1-phenyl-2-pyrrolidin-2-ylethanol

1-phenyl-2-pyrrolidin-2-ylethanol (PubChem CID 14314267) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-phenyl-2-pyrrolidin-2-ylethanol.

Molecular Properties

Compound Name1-phenyl-2-pyrrolidin-2-ylethanol
PubChem CID14314267
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-phenyl-2-pyrrolidin-2-ylethanol
SMILESOC(CC1CCCN1)c1ccccc1
InChIInChI=1S/C12H17NO/c14-12(9-11-7-4-8-13-11)10-5-2-1-3-6-10/h1-3,5-6,11-14H,4,7-9H2
InChIKeyVSDZLESKQMMKLT-UHFFFAOYSA-N
XLogP1.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.86
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-ylethanol?
The IUPAC name of 1-phenyl-2-pyrrolidin-2-ylethanol (CID 14314267) is 1-phenyl-2-pyrrolidin-2-ylethanol.
What is the SMILES notation for 1-phenyl-2-pyrrolidin-2-ylethanol?
The canonical SMILES for 1-phenyl-2-pyrrolidin-2-ylethanol is OC(CC1CCCN1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-pyrrolidin-2-ylethanol?
The InChIKey is VSDZLESKQMMKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c14-12(9-11-7-4-8-13-11)10-5-2-1-3-6-10/h1-3,5-6,11-14H,4,7-9H2.
What are the key properties of 1-phenyl-2-pyrrolidin-2-ylethanol?
1-phenyl-2-pyrrolidin-2-ylethanol has a molecular weight of 191.27 g/mol, XLogP of 1.86, 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-ylethanol is sourced from PubChem (CID 14314267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).