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

C14H19NO2 — CID 97356006

IUPAC1-(4-hydroxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)(C(=O)c1ccc(O)cc1)N1CCCC1
InChIInChI=1S/C14H19NO2/c1-14(2,15-9-3-4-10-15)13(17)11-5-7-12(16)8-6-11/h5-8,16H,3-4,9-10H2,1-2H3
InChIKeyFTZHSAKFFIJPKE-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.45
Rot. Bonds3

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

1-(4-hydroxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one (PubChem CID 97356006) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
PubChem CID97356006
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(4-hydroxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)(C(=O)c1ccc(O)cc1)N1CCCC1
InChIInChI=1S/C14H19NO2/c1-14(2,15-9-3-4-10-15)13(17)11-5-7-12(16)8-6-11/h5-8,16H,3-4,9-10H2,1-2H3
InChIKeyFTZHSAKFFIJPKE-UHFFFAOYSA-N
XLogP2.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-(4-hydroxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one (CID 97356006) is 1-(4-hydroxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-hydroxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-(4-hydroxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one is CC(C)(C(=O)c1ccc(O)cc1)N1CCCC1.
What is the InChIKey of 1-(4-hydroxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one?
The InChIKey is FTZHSAKFFIJPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2,15-9-3-4-10-15)13(17)11-5-7-12(16)8-6-11/h5-8,16H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(4-hydroxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one?
1-(4-hydroxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 97356006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).