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

C9H15NO2 — CID 162736627

IUPAC8-(methoxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCOCC12CCCN1C(=O)CC2
InChIInChI=1S/C9H15NO2/c1-12-7-9-4-2-6-10(9)8(11)3-5-9/h2-7H2,1H3
InChIKeyFILVWAKPWRERMK-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.79
Rot. Bonds2

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

8-(methoxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 162736627) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 8-(methoxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name8-(methoxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
PubChem CID162736627
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name8-(methoxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESCOCC12CCCN1C(=O)CC2
InChIInChI=1S/C9H15NO2/c1-12-7-9-4-2-6-10(9)8(11)3-5-9/h2-7H2,1H3
InChIKeyFILVWAKPWRERMK-UHFFFAOYSA-N
XLogP0.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(methoxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of 8-(methoxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (CID 162736627) is 8-(methoxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for 8-(methoxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for 8-(methoxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is COCC12CCCN1C(=O)CC2.
What is the InChIKey of 8-(methoxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is FILVWAKPWRERMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-12-7-9-4-2-6-10(9)8(11)3-5-9/h2-7H2,1H3.
What are the key properties of 8-(methoxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
8-(methoxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 169.22 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methoxymethyl)-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 162736627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).