(3-hydroxyphenyl)-pyrrolidin-1-ylmethanone

C11H13NO2 — CID 13342535

IUPAC(3-hydroxyphenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccc(O)c1)N1CCCC1
InChIInChI=1S/C11H13NO2/c13-10-5-3-4-9(8-10)11(14)12-6-1-2-7-12/h3-5,8,13H,1-2,6-7H2
InChIKeyCPEDRCTWMPTANX-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.63
Rot. Bonds1

About (3-hydroxyphenyl)-pyrrolidin-1-ylmethanone

(3-hydroxyphenyl)-pyrrolidin-1-ylmethanone (PubChem CID 13342535) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (3-hydroxyphenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3-hydroxyphenyl)-pyrrolidin-1-ylmethanone
PubChem CID13342535
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(3-hydroxyphenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccc(O)c1)N1CCCC1
InChIInChI=1S/C11H13NO2/c13-10-5-3-4-9(8-10)11(14)12-6-1-2-7-12/h3-5,8,13H,1-2,6-7H2
InChIKeyCPEDRCTWMPTANX-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 (3-hydroxyphenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3-hydroxyphenyl)-pyrrolidin-1-ylmethanone (CID 13342535) is (3-hydroxyphenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3-hydroxyphenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3-hydroxyphenyl)-pyrrolidin-1-ylmethanone is O=C(c1cccc(O)c1)N1CCCC1.
What is the InChIKey of (3-hydroxyphenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is CPEDRCTWMPTANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-10-5-3-4-9(8-10)11(14)12-6-1-2-7-12/h3-5,8,13H,1-2,6-7H2.
What are the key properties of (3-hydroxyphenyl)-pyrrolidin-1-ylmethanone?
(3-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 (3-hydroxyphenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 13342535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).