(4-hydroxyphenyl)-pyrrolidin-1-ylmethanone

C11H13NO2 — CID 17363033

IUPAC(4-hydroxyphenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(O)cc1)N1CCCC1
InChIInChI=1S/C11H13NO2/c13-10-5-3-9(4-6-10)11(14)12-7-1-2-8-12/h3-6,13H,1-2,7-8H2
InChIKeyZKLMYAVIKBNKPN-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.63
Rot. Bonds1

About (4-hydroxyphenyl)-pyrrolidin-1-ylmethanone

(4-hydroxyphenyl)-pyrrolidin-1-ylmethanone (PubChem CID 17363033) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (4-hydroxyphenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-pyrrolidin-1-ylmethanone
PubChem CID17363033
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(4-hydroxyphenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(O)cc1)N1CCCC1
InChIInChI=1S/C11H13NO2/c13-10-5-3-9(4-6-10)11(14)12-7-1-2-8-12/h3-6,13H,1-2,7-8H2
InChIKeyZKLMYAVIKBNKPN-UHFFFAOYSA-N
XLogP1.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (4-hydroxyphenyl)-pyrrolidin-1-ylmethanone (CID 17363033) is (4-hydroxyphenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (4-hydroxyphenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (4-hydroxyphenyl)-pyrrolidin-1-ylmethanone is O=C(c1ccc(O)cc1)N1CCCC1.
What is the InChIKey of (4-hydroxyphenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is ZKLMYAVIKBNKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-10-5-3-9(4-6-10)11(14)12-7-1-2-8-12/h3-6,13H,1-2,7-8H2.
What are the key properties of (4-hydroxyphenyl)-pyrrolidin-1-ylmethanone?
(4-hydroxyphenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 191.23 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 17363033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).