3-(3-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl)propanal

C10H15NO3 — CID 14433784

IUPAC3-(3-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl)propanal
SMILESO=CCCC12CCC(=O)N1C(O)CC2
InChIInChI=1S/C10H15NO3/c12-7-1-4-10-5-2-8(13)11(10)9(14)3-6-10/h7-8,13H,1-6H2
InChIKeyYDASVZVZXIEXDI-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.44
Rot. Bonds3

About 3-(3-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl)propanal

3-(3-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl)propanal (PubChem CID 14433784) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-(3-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl)propanal.

Molecular Properties

Compound Name3-(3-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl)propanal
PubChem CID14433784
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-(3-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl)propanal
SMILESO=CCCC12CCC(=O)N1C(O)CC2
InChIInChI=1S/C10H15NO3/c12-7-1-4-10-5-2-8(13)11(10)9(14)3-6-10/h7-8,13H,1-6H2
InChIKeyYDASVZVZXIEXDI-UHFFFAOYSA-N
XLogP0.44
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Pyrrolizin-1-one, 7-hydroxy-
CID 558383
1-(Hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 73028037
(7R,8S)-7-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10749410
(1S,8S)-1-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 11040914
(7S,8R)-8-hydroxy-7-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 10511372
(1R,8S)-1-(hydroxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 11607952
8-hydroxy-7-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 15341659
(5R,8S)-5-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 131176513
5-hydroxy-8-methyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 14433781
(5S)-5-hydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 69091771
8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 117272750
(8R)-8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 125041337

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl)propanal?
The IUPAC name of 3-(3-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl)propanal (CID 14433784) is 3-(3-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl)propanal.
What is the SMILES notation for 3-(3-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl)propanal?
The canonical SMILES for 3-(3-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl)propanal is O=CCCC12CCC(=O)N1C(O)CC2.
What is the InChIKey of 3-(3-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl)propanal?
The InChIKey is YDASVZVZXIEXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c12-7-1-4-10-5-2-8(13)11(10)9(14)3-6-10/h7-8,13H,1-6H2.
What are the key properties of 3-(3-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl)propanal?
3-(3-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl)propanal has a molecular weight of 197.23 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl)propanal is sourced from PubChem (CID 14433784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).