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

C15H27NO2 — CID 62469307

IUPAC3-cyclopentyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCCC1CCCO
InChIInChI=1S/C15H27NO2/c17-12-4-8-14-7-3-11-16(14)15(18)10-9-13-5-1-2-6-13/h13-14,17H,1-12H2
InChIKeyHCSNHNVSWXXXGL-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.72
Rot. Bonds6

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

3-cyclopentyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 62469307) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-cyclopentyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
PubChem CID62469307
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name3-cyclopentyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCCC1CCCO
InChIInChI=1S/C15H27NO2/c17-12-4-8-14-7-3-11-16(14)15(18)10-9-13-5-1-2-6-13/h13-14,17H,1-12H2
InChIKeyHCSNHNVSWXXXGL-UHFFFAOYSA-N
XLogP2.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 62479215
1-[2-(3-bromopropyl)pyrrolidin-1-yl]-3-cyclohexylpropan-1-one
CID 80675414
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 62589501
3-(tert-butylamino)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62478861
1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 55049095
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-propoxypropan-1-one
CID 62717355
3-cyclohexyl-1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 890408
2-(azetidin-3-yl)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
CID 64609791
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 62469314
4-hydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 79191916
4-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one
CID 119652276
2-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]sulfanylacetic acid
CID 104569851

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one (CID 62469307) is 3-cyclopentyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one is O=C(CCC1CCCC1)N1CCCC1CCCO.
What is the InChIKey of 3-cyclopentyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is HCSNHNVSWXXXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c17-12-4-8-14-7-3-11-16(14)15(18)10-9-13-5-1-2-6-13/h13-14,17H,1-12H2.
What are the key properties of 3-cyclopentyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one?
3-cyclopentyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 253.39 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 62469307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).