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

C11H19NO2 — CID 170211712

IUPAC8-(propan-2-yloxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCC(C)OCC12CCCN1C(=O)CC2
InChIInChI=1S/C11H19NO2/c1-9(2)14-8-11-5-3-7-12(11)10(13)4-6-11/h9H,3-8H2,1-2H3
InChIKeyVQSIWZDTLMGHPG-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.57
Rot. Bonds3

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

8-(propan-2-yloxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 170211712) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 8-(propan-2-yloxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name8-(propan-2-yloxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
PubChem CID170211712
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name8-(propan-2-yloxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCC(C)OCC12CCCN1C(=O)CC2
InChIInChI=1S/C11H19NO2/c1-9(2)14-8-11-5-3-7-12(11)10(13)4-6-11/h9H,3-8H2,1-2H3
InChIKeyVQSIWZDTLMGHPG-UHFFFAOYSA-N
XLogP1.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(propan-2-yloxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of 8-(propan-2-yloxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (CID 170211712) is 8-(propan-2-yloxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for 8-(propan-2-yloxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for 8-(propan-2-yloxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is CC(C)OCC12CCCN1C(=O)CC2.
What is the InChIKey of 8-(propan-2-yloxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is VQSIWZDTLMGHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(2)14-8-11-5-3-7-12(11)10(13)4-6-11/h9H,3-8H2,1-2H3.
What are the key properties of 8-(propan-2-yloxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
8-(propan-2-yloxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 197.28 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(propan-2-yloxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 170211712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).