(8S)-7-(methoxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizine

C9H15NO — CID 91753264

IUPAC(8S)-7-(methoxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizine
SMILESCOCC1=CCN2CCC[C@@H]12
InChIInChI=1S/C9H15NO/c1-11-7-8-4-6-10-5-2-3-9(8)10/h4,9H,2-3,5-7H2,1H3/t9-/m0/s1
InChIKeyGINGABFMWWPYLM-VIFPVBQESA-N
MW153.22 g/mol
LogP1.04
Rot. Bonds2

About (8S)-7-(methoxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizine

(8S)-7-(methoxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizine (PubChem CID 91753264) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (8S)-7-(methoxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name(8S)-7-(methoxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizine
PubChem CID91753264
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(8S)-7-(methoxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizine
SMILESCOCC1=CCN2CCC[C@@H]12
InChIInChI=1S/C9H15NO/c1-11-7-8-4-6-10-5-2-3-9(8)10/h4,9H,2-3,5-7H2,1H3/t9-/m0/s1
InChIKeyGINGABFMWWPYLM-VIFPVBQESA-N
XLogP1.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8S)-7-(methoxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizine?
The IUPAC name of (8S)-7-(methoxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizine (CID 91753264) is (8S)-7-(methoxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for (8S)-7-(methoxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizine?
The canonical SMILES for (8S)-7-(methoxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizine is COCC1=CCN2CCC[C@@H]12.
What is the InChIKey of (8S)-7-(methoxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizine?
The InChIKey is GINGABFMWWPYLM-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15NO/c1-11-7-8-4-6-10-5-2-3-9(8)10/h4,9H,2-3,5-7H2,1H3/t9-/m0/s1.
What are the key properties of (8S)-7-(methoxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizine?
(8S)-7-(methoxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizine has a molecular weight of 153.22 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-7-(methoxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 91753264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).