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

C8H13NO3 — CID 130490727

IUPAC1-hydroxy-1-(hydroxymethyl)-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one
SMILESO=C1CC(O)(CO)C2CCCN12
InChIInChI=1S/C8H13NO3/c10-5-8(12)4-7(11)9-3-1-2-6(8)9/h6,10,12H,1-5H2
InChIKeyBMHPQRJMVBLTDE-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.90
Rot. Bonds1

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

1-hydroxy-1-(hydroxymethyl)-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one (PubChem CID 130490727) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-hydroxy-1-(hydroxymethyl)-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one.

Molecular Properties

Compound Name1-hydroxy-1-(hydroxymethyl)-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one
PubChem CID130490727
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name1-hydroxy-1-(hydroxymethyl)-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one
SMILESO=C1CC(O)(CO)C2CCCN12
InChIInChI=1S/C8H13NO3/c10-5-8(12)4-7(11)9-3-1-2-6(8)9/h6,10,12H,1-5H2
InChIKeyBMHPQRJMVBLTDE-UHFFFAOYSA-N
XLogP-0.90
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-(hydroxymethyl)-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one?
The IUPAC name of 1-hydroxy-1-(hydroxymethyl)-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one (CID 130490727) is 1-hydroxy-1-(hydroxymethyl)-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one.
What is the SMILES notation for 1-hydroxy-1-(hydroxymethyl)-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one?
The canonical SMILES for 1-hydroxy-1-(hydroxymethyl)-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one is O=C1CC(O)(CO)C2CCCN12.
What is the InChIKey of 1-hydroxy-1-(hydroxymethyl)-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one?
The InChIKey is BMHPQRJMVBLTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c10-5-8(12)4-7(11)9-3-1-2-6(8)9/h6,10,12H,1-5H2.
What are the key properties of 1-hydroxy-1-(hydroxymethyl)-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one?
1-hydroxy-1-(hydroxymethyl)-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one has a molecular weight of 171.20 g/mol, XLogP of -0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-(hydroxymethyl)-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one is sourced from PubChem (CID 130490727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).