8-(3-hydroxyoxetan-3-yl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

C10H15NO3 — CID 167241280

IUPAC8-(3-hydroxyoxetan-3-yl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESO=C1CCC2(C3(O)COC3)CCCN12
InChIInChI=1S/C10H15NO3/c12-8-2-4-9(3-1-5-11(8)9)10(13)6-14-7-10/h13H,1-7H2
InChIKeyOQIJEFCPEFTCGY-UHFFFAOYSA-N
MW197.23 g/mol
LogP-0.10
Rot. Bonds1

About 8-(3-hydroxyoxetan-3-yl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

8-(3-hydroxyoxetan-3-yl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 167241280) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 8-(3-hydroxyoxetan-3-yl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name8-(3-hydroxyoxetan-3-yl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
PubChem CID167241280
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name8-(3-hydroxyoxetan-3-yl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESO=C1CCC2(C3(O)COC3)CCCN12
InChIInChI=1S/C10H15NO3/c12-8-2-4-9(3-1-5-11(8)9)10(13)6-14-7-10/h13H,1-7H2
InChIKeyOQIJEFCPEFTCGY-UHFFFAOYSA-N
XLogP-0.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(3-hydroxyoxetan-3-yl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of 8-(3-hydroxyoxetan-3-yl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (CID 167241280) is 8-(3-hydroxyoxetan-3-yl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for 8-(3-hydroxyoxetan-3-yl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for 8-(3-hydroxyoxetan-3-yl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is O=C1CCC2(C3(O)COC3)CCCN12.
What is the InChIKey of 8-(3-hydroxyoxetan-3-yl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is OQIJEFCPEFTCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c12-8-2-4-9(3-1-5-11(8)9)10(13)6-14-7-10/h13H,1-7H2.
What are the key properties of 8-(3-hydroxyoxetan-3-yl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
8-(3-hydroxyoxetan-3-yl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 197.23 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-hydroxyoxetan-3-yl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 167241280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).