2-(3-hydroxypropyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one

C10H17NO2 — CID 86079546

IUPAC2-(3-hydroxypropyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESO=C1C(CCCO)CC2CCCN12
InChIInChI=1S/C10H17NO2/c12-6-2-3-8-7-9-4-1-5-11(9)10(8)13/h8-9,12H,1-7H2
InChIKeyJXXBZYJYPDBPGP-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.77
Rot. Bonds3

About 2-(3-hydroxypropyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one

2-(3-hydroxypropyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 86079546) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID86079546
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-(3-hydroxypropyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESO=C1C(CCCO)CC2CCCN12
InChIInChI=1S/C10H17NO2/c12-6-2-3-8-7-9-4-1-5-11(9)10(8)13/h8-9,12H,1-7H2
InChIKeyJXXBZYJYPDBPGP-UHFFFAOYSA-N
XLogP0.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,8S)-2-benzyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 11171933
4-cyclopentyl-2-(3-hydroxypropyl)morpholin-3-one
CID 117008456
(2R,8aR)-2-amino-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 124680679
3-(4-oxo-1,2,3,6,7,8,9,9a-octahydroquinolizin-3-yl)propanoic acid
CID 70439324
6-amino-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 117273495
1-cyclobutyl-3-(3-hydroxypropyl)-1,3-diazinan-2-one
CID 84782376
1-cycloheptyl-3-hydroxypiperidin-2-one
CID 117014090
3-[1-(3-aminocyclohexyl)pyrrolidin-2-yl]propan-1-ol
CID 79469053
6-benzyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 86151500
1-[1-(5-hydroxypentyl)piperidin-3-yl]pyrrolidin-2-one
CID 111116676
3-amino-1-(4-hydroxybutyl)piperidin-2-one
CID 106846824
2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11789283

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of 2-(3-hydroxypropyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 86079546) is 2-(3-hydroxypropyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for 2-(3-hydroxypropyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one is O=C1C(CCCO)CC2CCCN12.
What is the InChIKey of 2-(3-hydroxypropyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is JXXBZYJYPDBPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c12-6-2-3-8-7-9-4-1-5-11(9)10(8)13/h8-9,12H,1-7H2.
What are the key properties of 2-(3-hydroxypropyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
2-(3-hydroxypropyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 183.25 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 86079546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).