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

C11H19NO3 — CID 162987953

IUPAC8-(propan-2-yloxymethoxy)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCC(C)OCOC12CCCN1C(=O)CC2
InChIInChI=1S/C11H19NO3/c1-9(2)14-8-15-11-5-3-7-12(11)10(13)4-6-11/h9H,3-8H2,1-2H3
InChIKeyVOQBEDQJSMOPCQ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.50
Rot. Bonds4

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

8-(propan-2-yloxymethoxy)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 162987953) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 8-(propan-2-yloxymethoxy)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name8-(propan-2-yloxymethoxy)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
PubChem CID162987953
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name8-(propan-2-yloxymethoxy)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCC(C)OCOC12CCCN1C(=O)CC2
InChIInChI=1S/C11H19NO3/c1-9(2)14-8-15-11-5-3-7-12(11)10(13)4-6-11/h9H,3-8H2,1-2H3
InChIKeyVOQBEDQJSMOPCQ-UHFFFAOYSA-N
XLogP1.50
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(propan-2-yloxymethoxy)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of 8-(propan-2-yloxymethoxy)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (CID 162987953) is 8-(propan-2-yloxymethoxy)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for 8-(propan-2-yloxymethoxy)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for 8-(propan-2-yloxymethoxy)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is CC(C)OCOC12CCCN1C(=O)CC2.
What is the InChIKey of 8-(propan-2-yloxymethoxy)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is VOQBEDQJSMOPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9(2)14-8-15-11-5-3-7-12(11)10(13)4-6-11/h9H,3-8H2,1-2H3.
What are the key properties of 8-(propan-2-yloxymethoxy)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
8-(propan-2-yloxymethoxy)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 213.28 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(propan-2-yloxymethoxy)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 162987953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).