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

C11H15NO2 — CID 101119743

IUPAC(7S,8S)-6-methylidenespiro[2,3,5,8-tetrahydro-1H-pyrrolizine-7,3'-oxolane]-2'-one
SMILESC=C1CN2CCC[C@H]2[C@]12CCOC2=O
InChIInChI=1S/C11H15NO2/c1-8-7-12-5-2-3-9(12)11(8)4-6-14-10(11)13/h9H,1-7H2/t9-,11-/m0/s1
InChIKeyCLKWPGRVEZSBBG-ONGXEEELSA-N
MW193.25 g/mol
LogP0.95
Rot. Bonds

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

(7S,8S)-6-methylidenespiro[2,3,5,8-tetrahydro-1H-pyrrolizine-7,3'-oxolane]-2'-one (PubChem CID 101119743) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (7S,8S)-6-methylidenespiro[2,3,5,8-tetrahydro-1H-pyrrolizine-7,3'-oxolane]-2'-one.

Molecular Properties

Compound Name(7S,8S)-6-methylidenespiro[2,3,5,8-tetrahydro-1H-pyrrolizine-7,3'-oxolane]-2'-one
PubChem CID101119743
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(7S,8S)-6-methylidenespiro[2,3,5,8-tetrahydro-1H-pyrrolizine-7,3'-oxolane]-2'-one
SMILESC=C1CN2CCC[C@H]2[C@]12CCOC2=O
InChIInChI=1S/C11H15NO2/c1-8-7-12-5-2-3-9(12)11(8)4-6-14-10(11)13/h9H,1-7H2/t9-,11-/m0/s1
InChIKeyCLKWPGRVEZSBBG-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'}

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Related Compounds

(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
(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
(6R,8S)-7-methylidenespiro[2,3,5,8-tetrahydro-1H-pyrrolizine-6,3'-oxolane]-2'-one
CID 101119746

Frequently Asked Questions

What is the IUPAC name of (7S,8S)-6-methylidenespiro[2,3,5,8-tetrahydro-1H-pyrrolizine-7,3'-oxolane]-2'-one?
The IUPAC name of (7S,8S)-6-methylidenespiro[2,3,5,8-tetrahydro-1H-pyrrolizine-7,3'-oxolane]-2'-one (CID 101119743) is (7S,8S)-6-methylidenespiro[2,3,5,8-tetrahydro-1H-pyrrolizine-7,3'-oxolane]-2'-one.
What is the SMILES notation for (7S,8S)-6-methylidenespiro[2,3,5,8-tetrahydro-1H-pyrrolizine-7,3'-oxolane]-2'-one?
The canonical SMILES for (7S,8S)-6-methylidenespiro[2,3,5,8-tetrahydro-1H-pyrrolizine-7,3'-oxolane]-2'-one is C=C1CN2CCC[C@H]2[C@]12CCOC2=O.
What is the InChIKey of (7S,8S)-6-methylidenespiro[2,3,5,8-tetrahydro-1H-pyrrolizine-7,3'-oxolane]-2'-one?
The InChIKey is CLKWPGRVEZSBBG-ONGXEEELSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8-7-12-5-2-3-9(12)11(8)4-6-14-10(11)13/h9H,1-7H2/t9-,11-/m0/s1.
What are the key properties of (7S,8S)-6-methylidenespiro[2,3,5,8-tetrahydro-1H-pyrrolizine-7,3'-oxolane]-2'-one?
(7S,8S)-6-methylidenespiro[2,3,5,8-tetrahydro-1H-pyrrolizine-7,3'-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 (7S,8S)-6-methylidenespiro[2,3,5,8-tetrahydro-1H-pyrrolizine-7,3'-oxolane]-2'-one is sourced from PubChem (CID 101119743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).