2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanone

C16H23NO2 — CID 55075882

IUPAC2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(=O)CN1CCCC1CCCO
InChIInChI=1S/C16H23NO2/c1-13-6-2-3-9-15(13)16(19)12-17-10-4-7-14(17)8-5-11-18/h2-3,6,9,14,18H,4-5,7-8,10-12H2,1H3
InChIKeyUPTMHUQSELGXGU-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.41
Rot. Bonds6

About 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanone

2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanone (PubChem CID 55075882) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanone
PubChem CID55075882
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(=O)CN1CCCC1CCCO
InChIInChI=1S/C16H23NO2/c1-13-6-2-3-9-15(13)16(19)12-17-10-4-7-14(17)8-5-11-18/h2-3,6,9,14,18H,4-5,7-8,10-12H2,1H3
InChIKeyUPTMHUQSELGXGU-UHFFFAOYSA-N
XLogP2.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
CID 62468314
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide
CID 62467967
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(4-iodophenyl)ethanone
CID 62467950
1-(3,4-difluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
CID 62466886
3-[1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62467802
3-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 111103083
3-(1-ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784
1-(3,4-dimethylphenyl)-2-[2-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 112748138
3-[(2R)-1-[2-(N-methylanilino)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 97045106
2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]benzohydrazide
CID 63571354
1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]propan-1-one
CID 112677416
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110918990

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanone?
The IUPAC name of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanone (CID 55075882) is 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanone.
What is the SMILES notation for 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanone?
The canonical SMILES for 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanone is Cc1ccccc1C(=O)CN1CCCC1CCCO.
What is the InChIKey of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanone?
The InChIKey is UPTMHUQSELGXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13-6-2-3-9-15(13)16(19)12-17-10-4-7-14(17)8-5-11-18/h2-3,6,9,14,18H,4-5,7-8,10-12H2,1H3.
What are the key properties of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanone?
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanone has a molecular weight of 261.36 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanone is sourced from PubChem (CID 55075882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).