3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropan-1-one

C17H25NO2 — CID 62612828

IUPAC3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropan-1-one
SMILESCC(CN1CCCC1CCCO)C(=O)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-14(17(20)15-7-3-2-4-8-15)13-18-11-5-9-16(18)10-6-12-19/h2-4,7-8,14,16,19H,5-6,9-13H2,1H3
InChIKeyUKFIRYABSOKZNZ-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.74
Rot. Bonds7

About 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropan-1-one

3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropan-1-one (PubChem CID 62612828) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropan-1-one
PubChem CID62612828
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropan-1-one
SMILESCC(CN1CCCC1CCCO)C(=O)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-14(17(20)15-7-3-2-4-8-15)13-18-11-5-9-16(18)10-6-12-19/h2-4,7-8,14,16,19H,5-6,9-13H2,1H3
InChIKeyUKFIRYABSOKZNZ-UHFFFAOYSA-N
XLogP2.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpropanehydrazide
CID 63571893
2-acetamido-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanoic acid
CID 64582737
(2S)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
CID 106932811
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
CID 62468156
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide
CID 62467967
N-[1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 110918942
benzyl 3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpropanoate
CID 106484533
3-[1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 111103045
(2S)-2-methyl-3-[4-[(2R)-2-methyl-3-oxo-3-phenylpropyl]piperazin-1-yl]-1-phenylpropan-1-one
CID 92774232
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanone
CID 55075882
1-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62469380
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110918990

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropan-1-one?
The IUPAC name of 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropan-1-one (CID 62612828) is 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropan-1-one.
What is the SMILES notation for 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropan-1-one?
The canonical SMILES for 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropan-1-one is CC(CN1CCCC1CCCO)C(=O)c1ccccc1.
What is the InChIKey of 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropan-1-one?
The InChIKey is UKFIRYABSOKZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-14(17(20)15-7-3-2-4-8-15)13-18-11-5-9-16(18)10-6-12-19/h2-4,7-8,14,16,19H,5-6,9-13H2,1H3.
What are the key properties of 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropan-1-one?
3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropan-1-one has a molecular weight of 275.39 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropan-1-one is sourced from PubChem (CID 62612828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).