1-(4-hydroxyphenyl)-2-pyrrolidin-2-ylethanone

C12H15NO2 — CID 71390578

IUPAC1-(4-hydroxyphenyl)-2-pyrrolidin-2-ylethanone
SMILESO=C(CC1CCCN1)c1ccc(O)cc1
InChIInChI=1S/C12H15NO2/c14-11-5-3-9(4-6-11)12(15)8-10-2-1-7-13-10/h3-6,10,13-14H,1-2,7-8H2
InChIKeyTWXMGZVEWCCEFB-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.72
Rot. Bonds3

About 1-(4-hydroxyphenyl)-2-pyrrolidin-2-ylethanone

1-(4-hydroxyphenyl)-2-pyrrolidin-2-ylethanone (PubChem CID 71390578) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-2-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-2-pyrrolidin-2-ylethanone
PubChem CID71390578
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-(4-hydroxyphenyl)-2-pyrrolidin-2-ylethanone
SMILESO=C(CC1CCCN1)c1ccc(O)cc1
InChIInChI=1S/C12H15NO2/c14-11-5-3-9(4-6-11)12(15)8-10-2-1-7-13-10/h3-6,10,13-14H,1-2,7-8H2
InChIKeyTWXMGZVEWCCEFB-UHFFFAOYSA-N
XLogP1.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-hydroxyphenyl)-2-pyrrolidin-2-ylethanone 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

1-(4-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]ethanone
CID 96581833
1-phenyl-2-pyrrolidin-2-ylethanone
CID 14176779
1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanone
CID 79537623
1-(4-hydroxyphenyl)-3-pyrrolidin-2-ylpropan-2-one
CID 116560927
2-(azepan-2-yl)-1-(4-methylsulfonylphenyl)ethanone
CID 81467196
1-(4-ethylsulfanylphenyl)-2-piperidin-2-ylethanone
CID 116917154
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrolidin-2-ylethanone
CID 79536264
1-(4-chloro-3-methoxyphenyl)-2-pyrrolidin-2-ylethanone
CID 116560958
1-[4-(3-phenoxypropoxy)phenyl]-2-piperidin-2-ylethanone
CID 22237356
1-(3-ethyl-4-methoxyphenyl)-2-pyrrolidin-2-ylethanone
CID 116916982
N-ethyl-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609417
N-(cyclopropylmethyl)-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608699

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-2-pyrrolidin-2-ylethanone?
The IUPAC name of 1-(4-hydroxyphenyl)-2-pyrrolidin-2-ylethanone (CID 71390578) is 1-(4-hydroxyphenyl)-2-pyrrolidin-2-ylethanone.
What is the SMILES notation for 1-(4-hydroxyphenyl)-2-pyrrolidin-2-ylethanone?
The canonical SMILES for 1-(4-hydroxyphenyl)-2-pyrrolidin-2-ylethanone is O=C(CC1CCCN1)c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-2-pyrrolidin-2-ylethanone?
The InChIKey is TWXMGZVEWCCEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-11-5-3-9(4-6-11)12(15)8-10-2-1-7-13-10/h3-6,10,13-14H,1-2,7-8H2.
What are the key properties of 1-(4-hydroxyphenyl)-2-pyrrolidin-2-ylethanone?
1-(4-hydroxyphenyl)-2-pyrrolidin-2-ylethanone has a molecular weight of 205.26 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-2-pyrrolidin-2-ylethanone is sourced from PubChem (CID 71390578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).