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

C8H13NO2 — CID 117272750

IUPAC8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESO=C1CCC2(CO)CCCN12
InChIInChI=1S/C8H13NO2/c10-6-8-3-1-5-9(8)7(11)2-4-8/h10H,1-6H2
InChIKeyBVABYDGUFSXLTG-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.13
Rot. Bonds1

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

8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 117272750) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
PubChem CID117272750
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESO=C1CCC2(CO)CCCN12
InChIInChI=1S/C8H13NO2/c10-6-8-3-1-5-9(8)7(11)2-4-8/h10H,1-6H2
InChIKeyBVABYDGUFSXLTG-UHFFFAOYSA-N
XLogP0.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of 8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (CID 117272750) is 8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for 8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for 8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is O=C1CCC2(CO)CCCN12.
What is the InChIKey of 8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is BVABYDGUFSXLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c10-6-8-3-1-5-9(8)7(11)2-4-8/h10H,1-6H2.
What are the key properties of 8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 155.20 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(hydroxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 117272750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).