(3,5-dihydroxyphenyl)-pyrrolidin-1-ylmethanone

C11H13NO3 — CID 103891305

IUPAC(3,5-dihydroxyphenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(O)cc(O)c1)N1CCCC1
InChIInChI=1S/C11H13NO3/c13-9-5-8(6-10(14)7-9)11(15)12-3-1-2-4-12/h5-7,13-14H,1-4H2
InChIKeyOQIRVOUUOJGXQG-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.33
Rot. Bonds1

About (3,5-dihydroxyphenyl)-pyrrolidin-1-ylmethanone

(3,5-dihydroxyphenyl)-pyrrolidin-1-ylmethanone (PubChem CID 103891305) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (3,5-dihydroxyphenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3,5-dihydroxyphenyl)-pyrrolidin-1-ylmethanone
PubChem CID103891305
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(3,5-dihydroxyphenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(O)cc(O)c1)N1CCCC1
InChIInChI=1S/C11H13NO3/c13-9-5-8(6-10(14)7-9)11(15)12-3-1-2-4-12/h5-7,13-14H,1-4H2
InChIKeyOQIRVOUUOJGXQG-UHFFFAOYSA-N
XLogP1.33
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 171722697
cyclohexyl-[4-(3,5-dihydroxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108544690
1-(3,5-dihydroxybenzoyl)piperidine-3-carboxamide
CID 103891600
(3-chloropiperidin-1-yl)-(3,5-dihydroxyphenyl)methanone
CID 107705861
(2,6-difluoro-4-hydroxyphenyl)-pyrrolidin-1-ylmethanone
CID 70858755
1-[4-(3,5-dihydroxybenzoyl)-1,4-diazepan-1-yl]pentan-1-one
CID 108547664
(3,5-dihydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 113355600
aziridin-1-yl-[3,5-bis(aziridine-1-carbonyl)phenyl]methanone
CID 27654
(3,5-dihydroxyphenyl)-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methanone
CID 86801395
(3,5-dihydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 84582449
5-(piperidine-1-carbonyl)benzene-1,3-dicarbonyl chloride
CID 156548712
azocan-1-yl-(3,5-difluorophenyl)methanone
CID 86976941

Frequently Asked Questions

What is the IUPAC name of (3,5-dihydroxyphenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3,5-dihydroxyphenyl)-pyrrolidin-1-ylmethanone (CID 103891305) is (3,5-dihydroxyphenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3,5-dihydroxyphenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3,5-dihydroxyphenyl)-pyrrolidin-1-ylmethanone is O=C(c1cc(O)cc(O)c1)N1CCCC1.
What is the InChIKey of (3,5-dihydroxyphenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is OQIRVOUUOJGXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-9-5-8(6-10(14)7-9)11(15)12-3-1-2-4-12/h5-7,13-14H,1-4H2.
What are the key properties of (3,5-dihydroxyphenyl)-pyrrolidin-1-ylmethanone?
(3,5-dihydroxyphenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 207.23 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dihydroxyphenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 103891305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).