3-[1-(2,4-dihydroxyphenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one

C15H22N2O3 — CID 43203461

IUPAC3-[1-(2,4-dihydroxyphenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(NCCC(=O)N1CCCC1)c1ccc(O)cc1O
InChIInChI=1S/C15H22N2O3/c1-11(13-5-4-12(18)10-14(13)19)16-7-6-15(20)17-8-2-3-9-17/h4-5,10-11,16,18-19H,2-3,6-9H2,1H3
InChIKeyBPVSEEKRHYGXBL-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.76
Rot. Bonds5

About 3-[1-(2,4-dihydroxyphenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one

3-[1-(2,4-dihydroxyphenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 43203461) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-[1-(2,4-dihydroxyphenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-(2,4-dihydroxyphenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID43203461
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-[1-(2,4-dihydroxyphenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(NCCC(=O)N1CCCC1)c1ccc(O)cc1O
InChIInChI=1S/C15H22N2O3/c1-11(13-5-4-12(18)10-14(13)19)16-7-6-15(20)17-8-2-3-9-17/h4-5,10-11,16,18-19H,2-3,6-9H2,1H3
InChIKeyBPVSEEKRHYGXBL-UHFFFAOYSA-N
XLogP1.76
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 3-[1-(2,4-dihydroxyphenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(3-pyrrolidin-1-ylpropylamino)ethyl]benzene-1,3-diol
CID 43203858
3-[1-(2,4-dihydroxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934715
3-[1-(2-bromo-4-fluorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 103777824
3-[1-(2-methylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 115707228
5-[1-(2,4-dihydroxyphenyl)ethylamino]pentanamide
CID 106234212
3-[1-(3,4-dimethylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 115710053
4-[1-(2-hydroxyethylamino)ethyl]benzene-1,3-diol
CID 43151178
3-[1-(2,3-difluorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 103915795
2-[1-(2,4-dihydroxyphenyl)ethylamino]-N-propan-2-ylacetamide
CID 43567781
4-[1-(2-cyclobutylethylamino)ethyl]benzene-1,3-diol
CID 113478638
4-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,3-diol
CID 106324919
3-[1-(furan-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 112700173

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dihydroxyphenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[1-(2,4-dihydroxyphenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one (CID 43203461) is 3-[1-(2,4-dihydroxyphenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[1-(2,4-dihydroxyphenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[1-(2,4-dihydroxyphenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one is CC(NCCC(=O)N1CCCC1)c1ccc(O)cc1O.
What is the InChIKey of 3-[1-(2,4-dihydroxyphenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is BPVSEEKRHYGXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(13-5-4-12(18)10-14(13)19)16-7-6-15(20)17-8-2-3-9-17/h4-5,10-11,16,18-19H,2-3,6-9H2,1H3.
What are the key properties of 3-[1-(2,4-dihydroxyphenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one?
3-[1-(2,4-dihydroxyphenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 278.35 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dihydroxyphenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 43203461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).