spiro[2,3,3a,3b,4,5,6,8a-octahydrofuro[3,2-a]pyrrolizine-8,2'-indene]-1',3'-dione

C17H17NO3 — CID 176509044

IUPACspiro[2,3,3a,3b,4,5,6,8a-octahydrofuro[3,2-a]pyrrolizine-8,2'-indene]-1',3'-dione
SMILESO=C1c2ccccc2C(=O)C12C1OCCC1C1CCCN12
InChIInChI=1S/C17H17NO3/c19-14-10-4-1-2-5-11(10)15(20)17(14)16-12(7-9-21-16)13-6-3-8-18(13)17/h1-2,4-5,12-13,16H,3,6-9H2
InChIKeyVLGMPRGBWBEKSK-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.69
Rot. Bonds

About spiro[2,3,3a,3b,4,5,6,8a-octahydrofuro[3,2-a]pyrrolizine-8,2'-indene]-1',3'-dione

spiro[2,3,3a,3b,4,5,6,8a-octahydrofuro[3,2-a]pyrrolizine-8,2'-indene]-1',3'-dione (PubChem CID 176509044) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is spiro[2,3,3a,3b,4,5,6,8a-octahydrofuro[3,2-a]pyrrolizine-8,2'-indene]-1',3'-dione.

Molecular Properties

Compound Namespiro[2,3,3a,3b,4,5,6,8a-octahydrofuro[3,2-a]pyrrolizine-8,2'-indene]-1',3'-dione
PubChem CID176509044
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Namespiro[2,3,3a,3b,4,5,6,8a-octahydrofuro[3,2-a]pyrrolizine-8,2'-indene]-1',3'-dione
SMILESO=C1c2ccccc2C(=O)C12C1OCCC1C1CCCN12
InChIInChI=1S/C17H17NO3/c19-14-10-4-1-2-5-11(10)15(20)17(14)16-12(7-9-21-16)13-6-3-8-18(13)17/h1-2,4-5,12-13,16H,3,6-9H2
InChIKeyVLGMPRGBWBEKSK-UHFFFAOYSA-N
XLogP1.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of spiro[2,3,3a,3b,4,5,6,8a-octahydrofuro[3,2-a]pyrrolizine-8,2'-indene]-1',3'-dione?
The IUPAC name of spiro[2,3,3a,3b,4,5,6,8a-octahydrofuro[3,2-a]pyrrolizine-8,2'-indene]-1',3'-dione (CID 176509044) is spiro[2,3,3a,3b,4,5,6,8a-octahydrofuro[3,2-a]pyrrolizine-8,2'-indene]-1',3'-dione.
What is the SMILES notation for spiro[2,3,3a,3b,4,5,6,8a-octahydrofuro[3,2-a]pyrrolizine-8,2'-indene]-1',3'-dione?
The canonical SMILES for spiro[2,3,3a,3b,4,5,6,8a-octahydrofuro[3,2-a]pyrrolizine-8,2'-indene]-1',3'-dione is O=C1c2ccccc2C(=O)C12C1OCCC1C1CCCN12.
What is the InChIKey of spiro[2,3,3a,3b,4,5,6,8a-octahydrofuro[3,2-a]pyrrolizine-8,2'-indene]-1',3'-dione?
The InChIKey is VLGMPRGBWBEKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-14-10-4-1-2-5-11(10)15(20)17(14)16-12(7-9-21-16)13-6-3-8-18(13)17/h1-2,4-5,12-13,16H,3,6-9H2.
What are the key properties of spiro[2,3,3a,3b,4,5,6,8a-octahydrofuro[3,2-a]pyrrolizine-8,2'-indene]-1',3'-dione?
spiro[2,3,3a,3b,4,5,6,8a-octahydrofuro[3,2-a]pyrrolizine-8,2'-indene]-1',3'-dione has a molecular weight of 283.33 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2,3,3a,3b,4,5,6,8a-octahydrofuro[3,2-a]pyrrolizine-8,2'-indene]-1',3'-dione is sourced from PubChem (CID 176509044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).