2-(3-hydroxynaphthalen-2-yl)oxy-1-pyrrolidin-1-ylpropan-1-one

C17H19NO3 — CID 43326380

IUPAC2-(3-hydroxynaphthalen-2-yl)oxy-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(Oc1cc2ccccc2cc1O)C(=O)N1CCCC1
InChIInChI=1S/C17H19NO3/c1-12(17(20)18-8-4-5-9-18)21-16-11-14-7-3-2-6-13(14)10-15(16)19/h2-3,6-7,10-12,19H,4-5,8-9H2,1H3
InChIKeyLAEYLUKSQXHJHW-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.94
Rot. Bonds3

About 2-(3-hydroxynaphthalen-2-yl)oxy-1-pyrrolidin-1-ylpropan-1-one

2-(3-hydroxynaphthalen-2-yl)oxy-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 43326380) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-(3-hydroxynaphthalen-2-yl)oxy-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(3-hydroxynaphthalen-2-yl)oxy-1-pyrrolidin-1-ylpropan-1-one
PubChem CID43326380
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-(3-hydroxynaphthalen-2-yl)oxy-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(Oc1cc2ccccc2cc1O)C(=O)N1CCCC1
InChIInChI=1S/C17H19NO3/c1-12(17(20)18-8-4-5-9-18)21-16-11-14-7-3-2-6-13(14)10-15(16)19/h2-3,6-7,10-12,19H,4-5,8-9H2,1H3
InChIKeyLAEYLUKSQXHJHW-UHFFFAOYSA-N
XLogP2.94
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-hydroxynaphthalen-2-yl)oxy-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

(2S)-1-(azepan-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 9173596
2-(2-methoxyphenoxy)-1-[4-[2-(2-methoxyphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981257
(2R)-2-(2-bromophenoxy)-1-piperidin-1-ylpropan-1-one
CID 28825799
(2R)-2-(1-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one
CID 7640054
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one
CID 78931197
1-(azepan-1-yl)-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propan-1-one
CID 63364988
2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 43143333
(2R)-1-pyrrolidin-1-yl-2-(2,3,5-trimethylphenoxy)propan-1-one
CID 38004866
2-(3-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 78767912
2-(2,3-dimethylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 42904169
(2R)-1-(azepan-1-yl)-2-(2,3,5-trimethylphenoxy)propan-1-one
CID 92677756
2-(2-nitrophenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 4943757

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxynaphthalen-2-yl)oxy-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(3-hydroxynaphthalen-2-yl)oxy-1-pyrrolidin-1-ylpropan-1-one (CID 43326380) is 2-(3-hydroxynaphthalen-2-yl)oxy-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(3-hydroxynaphthalen-2-yl)oxy-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(3-hydroxynaphthalen-2-yl)oxy-1-pyrrolidin-1-ylpropan-1-one is CC(Oc1cc2ccccc2cc1O)C(=O)N1CCCC1.
What is the InChIKey of 2-(3-hydroxynaphthalen-2-yl)oxy-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is LAEYLUKSQXHJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12(17(20)18-8-4-5-9-18)21-16-11-14-7-3-2-6-13(14)10-15(16)19/h2-3,6-7,10-12,19H,4-5,8-9H2,1H3.
What are the key properties of 2-(3-hydroxynaphthalen-2-yl)oxy-1-pyrrolidin-1-ylpropan-1-one?
2-(3-hydroxynaphthalen-2-yl)oxy-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 285.34 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxynaphthalen-2-yl)oxy-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 43326380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).