(6R,8S)-7-methylidenespiro[2,3,5,8-tetrahydro-1H-pyrrolizine-6,3'-oxolane]-2'-one

C11H15NO2 — CID 101119746

IUPAC(6R,8S)-7-methylidenespiro[2,3,5,8-tetrahydro-1H-pyrrolizine-6,3'-oxolane]-2'-one
SMILESC=C1[C@@H]2CCCN2C[C@@]12CCOC2=O
InChIInChI=1S/C11H15NO2/c1-8-9-3-2-5-12(9)7-11(8)4-6-14-10(11)13/h9H,1-7H2/t9-,11-/m0/s1
InChIKeySOZWUANXDKLMRZ-ONGXEEELSA-N
MW193.25 g/mol
LogP0.95
Rot. Bonds

About (6R,8S)-7-methylidenespiro[2,3,5,8-tetrahydro-1H-pyrrolizine-6,3'-oxolane]-2'-one

(6R,8S)-7-methylidenespiro[2,3,5,8-tetrahydro-1H-pyrrolizine-6,3'-oxolane]-2'-one (PubChem CID 101119746) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (6R,8S)-7-methylidenespiro[2,3,5,8-tetrahydro-1H-pyrrolizine-6,3'-oxolane]-2'-one.

Molecular Properties

Compound Name(6R,8S)-7-methylidenespiro[2,3,5,8-tetrahydro-1H-pyrrolizine-6,3'-oxolane]-2'-one
PubChem CID101119746
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(6R,8S)-7-methylidenespiro[2,3,5,8-tetrahydro-1H-pyrrolizine-6,3'-oxolane]-2'-one
SMILESC=C1[C@@H]2CCCN2C[C@@]12CCOC2=O
InChIInChI=1S/C11H15NO2/c1-8-9-3-2-5-12(9)7-11(8)4-6-14-10(11)13/h9H,1-7H2/t9-,11-/m0/s1
InChIKeySOZWUANXDKLMRZ-ONGXEEELSA-N
XLogP0.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6R,8S)-7-methylidenespiro[2,3,5,8-tetrahydro-1H-pyrrolizine-6,3'-oxolane]-2'-one with MolForge

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Related Compounds

(6S,8S)-spiro[1,2,3,5,7,8-hexahydropyrrolizine-6,3'-oxolane]-2'-one
CID 23244200
(6R,8R)-7-methylidenespiro[2,3,5,8-tetrahydro-1H-pyrrolizine-6,3'-oxolane]-2'-one
CID 101119695
(7R,8R)-6-methylidenespiro[2,3,5,8-tetrahydro-1H-pyrrolizine-7,3'-oxolane]-2'-one
CID 101119742
(7S,8S)-6-methylidenespiro[2,3,5,8-tetrahydro-1H-pyrrolizine-7,3'-oxolane]-2'-one
CID 101119743
(7R,8S)-6-methylidenespiro[2,3,5,8-tetrahydro-1H-pyrrolizine-7,3'-oxolane]-2'-one
CID 101119744
(7S,8R)-6-methylidenespiro[2,3,5,8-tetrahydro-1H-pyrrolizine-7,3'-oxolane]-2'-one
CID 101119745

Frequently Asked Questions

What is the IUPAC name of (6R,8S)-7-methylidenespiro[2,3,5,8-tetrahydro-1H-pyrrolizine-6,3'-oxolane]-2'-one?
The IUPAC name of (6R,8S)-7-methylidenespiro[2,3,5,8-tetrahydro-1H-pyrrolizine-6,3'-oxolane]-2'-one (CID 101119746) is (6R,8S)-7-methylidenespiro[2,3,5,8-tetrahydro-1H-pyrrolizine-6,3'-oxolane]-2'-one.
What is the SMILES notation for (6R,8S)-7-methylidenespiro[2,3,5,8-tetrahydro-1H-pyrrolizine-6,3'-oxolane]-2'-one?
The canonical SMILES for (6R,8S)-7-methylidenespiro[2,3,5,8-tetrahydro-1H-pyrrolizine-6,3'-oxolane]-2'-one is C=C1[C@@H]2CCCN2C[C@@]12CCOC2=O.
What is the InChIKey of (6R,8S)-7-methylidenespiro[2,3,5,8-tetrahydro-1H-pyrrolizine-6,3'-oxolane]-2'-one?
The InChIKey is SOZWUANXDKLMRZ-ONGXEEELSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8-9-3-2-5-12(9)7-11(8)4-6-14-10(11)13/h9H,1-7H2/t9-,11-/m0/s1.
What are the key properties of (6R,8S)-7-methylidenespiro[2,3,5,8-tetrahydro-1H-pyrrolizine-6,3'-oxolane]-2'-one?
(6R,8S)-7-methylidenespiro[2,3,5,8-tetrahydro-1H-pyrrolizine-6,3'-oxolane]-2'-one has a molecular weight of 193.25 g/mol, XLogP of 0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8S)-7-methylidenespiro[2,3,5,8-tetrahydro-1H-pyrrolizine-6,3'-oxolane]-2'-one is sourced from PubChem (CID 101119746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).