spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2',5'-dione

C10H13NO3 — CID 82855479

IUPACspiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2',5'-dione
SMILESO=C1CC2(CCN3CCCC32)C(=O)O1
InChIInChI=1S/C10H13NO3/c12-8-6-10(9(13)14-8)3-5-11-4-1-2-7(10)11/h7H,1-6H2
InChIKeyGNFHTXSZWHMRDR-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.31
Rot. Bonds

About spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2',5'-dione

spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2',5'-dione (PubChem CID 82855479) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2',5'-dione.

Molecular Properties

Compound Namespiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2',5'-dione
PubChem CID82855479
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Namespiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2',5'-dione
SMILESO=C1CC2(CCN3CCCC32)C(=O)O1
InChIInChI=1S/C10H13NO3/c12-8-6-10(9(13)14-8)3-5-11-4-1-2-7(10)11/h7H,1-6H2
InChIKeyGNFHTXSZWHMRDR-UHFFFAOYSA-N
XLogP0.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2',5'-dione?
The IUPAC name of spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2',5'-dione (CID 82855479) is spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2',5'-dione.
What is the SMILES notation for spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2',5'-dione?
The canonical SMILES for spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2',5'-dione is O=C1CC2(CCN3CCCC32)C(=O)O1.
What is the InChIKey of spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2',5'-dione?
The InChIKey is GNFHTXSZWHMRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c12-8-6-10(9(13)14-8)3-5-11-4-1-2-7(10)11/h7H,1-6H2.
What are the key properties of spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2',5'-dione?
spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2',5'-dione has a molecular weight of 195.22 g/mol, XLogP of 0.31, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,3'-oxolane]-2',5'-dione is sourced from PubChem (CID 82855479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).