1-(4-hydroxyphenyl)-3-pyrrolidin-2-ylpropan-2-one

C13H17NO2 — CID 116560927

IUPAC1-(4-hydroxyphenyl)-3-pyrrolidin-2-ylpropan-2-one
SMILESO=C(Cc1ccc(O)cc1)CC1CCCN1
InChIInChI=1S/C13H17NO2/c15-12-5-3-10(4-6-12)8-13(16)9-11-2-1-7-14-11/h3-6,11,14-15H,1-2,7-9H2
InChIKeyWCNWOJDYGQTTQF-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.65
Rot. Bonds4

About 1-(4-hydroxyphenyl)-3-pyrrolidin-2-ylpropan-2-one

1-(4-hydroxyphenyl)-3-pyrrolidin-2-ylpropan-2-one (PubChem CID 116560927) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-3-pyrrolidin-2-ylpropan-2-one.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-3-pyrrolidin-2-ylpropan-2-one
PubChem CID116560927
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(4-hydroxyphenyl)-3-pyrrolidin-2-ylpropan-2-one
SMILESO=C(Cc1ccc(O)cc1)CC1CCCN1
InChIInChI=1S/C13H17NO2/c15-12-5-3-10(4-6-12)8-13(16)9-11-2-1-7-14-11/h3-6,11,14-15H,1-2,7-9H2
InChIKeyWCNWOJDYGQTTQF-UHFFFAOYSA-N
XLogP1.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-pyrrolidin-2-ylpropan-2-one
CID 116560826
1-phenyl-3-piperidin-2-ylpropan-2-one
CID 22237365
1-(4-hydroxyphenyl)-2-pyrrolidin-2-ylethanone
CID 71390578
1-(2-chlorophenyl)-3-pyrrolidin-2-ylpropan-2-one
CID 116560934
4-phenyl-1-[(2S)-pyrrolidin-2-yl]butan-2-one
CID 70184380
1-hydroxy-3-pyrrolidin-2-ylpropan-2-one
CID 123192463
2-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]acetic acid
CID 61366052
1,3-bis(4-hydroxyphenyl)propan-2-one
CID 159297209
1-(2-amino-5-bromophenyl)-3-pyrrolidin-2-ylpropan-2-one
CID 175308522
N-[(4-hydroxyphenyl)methyl]-3-piperidin-2-ylpropanamide
CID 114332165
1-amino-3-[(2R)-pyrrolidin-2-yl]propan-2-one
CID 54308072
1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanone
CID 79537623

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-3-pyrrolidin-2-ylpropan-2-one?
The IUPAC name of 1-(4-hydroxyphenyl)-3-pyrrolidin-2-ylpropan-2-one (CID 116560927) is 1-(4-hydroxyphenyl)-3-pyrrolidin-2-ylpropan-2-one.
What is the SMILES notation for 1-(4-hydroxyphenyl)-3-pyrrolidin-2-ylpropan-2-one?
The canonical SMILES for 1-(4-hydroxyphenyl)-3-pyrrolidin-2-ylpropan-2-one is O=C(Cc1ccc(O)cc1)CC1CCCN1.
What is the InChIKey of 1-(4-hydroxyphenyl)-3-pyrrolidin-2-ylpropan-2-one?
The InChIKey is WCNWOJDYGQTTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-12-5-3-10(4-6-12)8-13(16)9-11-2-1-7-14-11/h3-6,11,14-15H,1-2,7-9H2.
What are the key properties of 1-(4-hydroxyphenyl)-3-pyrrolidin-2-ylpropan-2-one?
1-(4-hydroxyphenyl)-3-pyrrolidin-2-ylpropan-2-one has a molecular weight of 219.28 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-3-pyrrolidin-2-ylpropan-2-one is sourced from PubChem (CID 116560927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).