1-(3-hydroxyphenyl)-3-pyrrolidin-1-ylpropan-2-one

C13H17NO2 — CID 141149374

IUPAC1-(3-hydroxyphenyl)-3-pyrrolidin-1-ylpropan-2-one
SMILESO=C(Cc1cccc(O)c1)CN1CCCC1
InChIInChI=1S/C13H17NO2/c15-12-5-3-4-11(8-12)9-13(16)10-14-6-1-2-7-14/h3-5,8,15H,1-2,6-7,9-10H2
InChIKeyBLEKDQFCTHSRBP-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.60
Rot. Bonds4

About 1-(3-hydroxyphenyl)-3-pyrrolidin-1-ylpropan-2-one

1-(3-hydroxyphenyl)-3-pyrrolidin-1-ylpropan-2-one (PubChem CID 141149374) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-3-pyrrolidin-1-ylpropan-2-one.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-3-pyrrolidin-1-ylpropan-2-one
PubChem CID141149374
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(3-hydroxyphenyl)-3-pyrrolidin-1-ylpropan-2-one
SMILESO=C(Cc1cccc(O)c1)CN1CCCC1
InChIInChI=1S/C13H17NO2/c15-12-5-3-4-11(8-12)9-13(16)10-14-6-1-2-7-14/h3-5,8,15H,1-2,6-7,9-10H2
InChIKeyBLEKDQFCTHSRBP-UHFFFAOYSA-N
XLogP1.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-3-phenylpropan-2-one
CID 43794492
2-(3-hydroxyphenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethanone
CID 146087611
2-(3-hydroxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 62992551
1-(3-hydroxyphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563570
1-(3-aminophenyl)-3-(3-hydroxyphenyl)propan-2-one
CID 116577080
1-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone
CID 166623031
N'-hydroxy-2-[4-[2-(3-hydroxyphenyl)acetyl]piperazin-1-yl]ethanimidamide
CID 77011790
1-[(3-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 24904650
1-[2-(bromomethyl)pyrrolidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 80678156
1-(4-methylazepan-1-yl)-3-phenylpropan-2-one
CID 63623746
1-(2-ethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 61399838
1-(3-azaspiro[5.5]undecan-3-yl)-2-(3-hydroxyphenyl)ethanone
CID 62865664

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-3-pyrrolidin-1-ylpropan-2-one?
The IUPAC name of 1-(3-hydroxyphenyl)-3-pyrrolidin-1-ylpropan-2-one (CID 141149374) is 1-(3-hydroxyphenyl)-3-pyrrolidin-1-ylpropan-2-one.
What is the SMILES notation for 1-(3-hydroxyphenyl)-3-pyrrolidin-1-ylpropan-2-one?
The canonical SMILES for 1-(3-hydroxyphenyl)-3-pyrrolidin-1-ylpropan-2-one is O=C(Cc1cccc(O)c1)CN1CCCC1.
What is the InChIKey of 1-(3-hydroxyphenyl)-3-pyrrolidin-1-ylpropan-2-one?
The InChIKey is BLEKDQFCTHSRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-12-5-3-4-11(8-12)9-13(16)10-14-6-1-2-7-14/h3-5,8,15H,1-2,6-7,9-10H2.
What are the key properties of 1-(3-hydroxyphenyl)-3-pyrrolidin-1-ylpropan-2-one?
1-(3-hydroxyphenyl)-3-pyrrolidin-1-ylpropan-2-one has a molecular weight of 219.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-3-pyrrolidin-1-ylpropan-2-one is sourced from PubChem (CID 141149374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).