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

C16H23NO3 — CID 62469124

IUPAC1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenoxypropan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCCC1CCCO
InChIInChI=1S/C16H23NO3/c1-13(20-15-9-3-2-4-10-15)16(19)17-11-5-7-14(17)8-6-12-18/h2-4,9-10,13-14,18H,5-8,11-12H2,1H3
InChIKeyHOSHVGSKFPVQTJ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.22
Rot. Bonds6

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

1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenoxypropan-1-one (PubChem CID 62469124) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenoxypropan-1-one
PubChem CID62469124
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenoxypropan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCCC1CCCO
InChIInChI=1S/C16H23NO3/c1-13(20-15-9-3-2-4-10-15)16(19)17-11-5-7-14(17)8-6-12-18/h2-4,9-10,13-14,18H,5-8,11-12H2,1H3
InChIKeyHOSHVGSKFPVQTJ-UHFFFAOYSA-N
XLogP2.22
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenoxypropan-1-one with MolForge

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Related Compounds

2-(2-fluorophenoxy)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62468076
3-[(2S)-1-[(2S)-2-phenoxypropanoyl]piperidin-2-yl]propanoic acid
CID 124695958
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(4-phenylphenoxy)propan-1-one
CID 119634509
3-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 80551170
N-[1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 110918942
2-(4-bromophenoxy)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 66262567
2-(3-chlorophenoxy)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 79030575
4-[1-[2-(2-hydroxyethyl)piperidin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 110887081
2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 62478502
2-(4-methoxyphenoxy)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119651488
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)propan-1-one
CID 119631520
1-[2-(hydroxymethyl)azepan-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 116636000

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenoxypropan-1-one?
The IUPAC name of 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenoxypropan-1-one (CID 62469124) is 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenoxypropan-1-one.
What is the SMILES notation for 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenoxypropan-1-one?
The canonical SMILES for 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenoxypropan-1-one is CC(Oc1ccccc1)C(=O)N1CCCC1CCCO.
What is the InChIKey of 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenoxypropan-1-one?
The InChIKey is HOSHVGSKFPVQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-13(20-15-9-3-2-4-10-15)16(19)17-11-5-7-14(17)8-6-12-18/h2-4,9-10,13-14,18H,5-8,11-12H2,1H3.
What are the key properties of 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenoxypropan-1-one?
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenoxypropan-1-one has a molecular weight of 277.36 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenoxypropan-1-one is sourced from PubChem (CID 62469124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).