spiro[1,3-dioxolane-2,3'-4,4a,5,8-tetrahydro-2H-benzo[7]annulene]-9',9'-dicarbonitrile

C15H16N2O2 — CID 132572174

IUPACspiro[1,3-dioxolane-2,3'-4,4a,5,8-tetrahydro-2H-benzo[7]annulene]-9',9'-dicarbonitrile
SMILESN#CC1(C#N)CC=CCC2CC3(CC=C21)OCCO3
InChIInChI=1S/C15H16N2O2/c16-10-14(11-17)5-2-1-3-12-9-15(6-4-13(12)14)18-7-8-19-15/h1-2,4,12H,3,5-9H2
InChIKeyWEYGCVMZSIHFRR-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.45
Rot. Bonds

About spiro[1,3-dioxolane-2,3'-4,4a,5,8-tetrahydro-2H-benzo[7]annulene]-9',9'-dicarbonitrile

spiro[1,3-dioxolane-2,3'-4,4a,5,8-tetrahydro-2H-benzo[7]annulene]-9',9'-dicarbonitrile (PubChem CID 132572174) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,3'-4,4a,5,8-tetrahydro-2H-benzo[7]annulene]-9',9'-dicarbonitrile.

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,3'-4,4a,5,8-tetrahydro-2H-benzo[7]annulene]-9',9'-dicarbonitrile
PubChem CID132572174
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Namespiro[1,3-dioxolane-2,3'-4,4a,5,8-tetrahydro-2H-benzo[7]annulene]-9',9'-dicarbonitrile
SMILESN#CC1(C#N)CC=CCC2CC3(CC=C21)OCCO3
InChIInChI=1S/C15H16N2O2/c16-10-14(11-17)5-2-1-3-12-9-15(6-4-13(12)14)18-7-8-19-15/h1-2,4,12H,3,5-9H2
InChIKeyWEYGCVMZSIHFRR-UHFFFAOYSA-N
XLogP2.45
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze spiro[1,3-dioxolane-2,3'-4,4a,5,8-tetrahydro-2H-benzo[7]annulene]-9',9'-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxolane-2,3'-4,4a,5,8-tetrahydro-2H-benzo[7]annulene]-9',9'-dicarbonitrile?
The IUPAC name of spiro[1,3-dioxolane-2,3'-4,4a,5,8-tetrahydro-2H-benzo[7]annulene]-9',9'-dicarbonitrile (CID 132572174) is spiro[1,3-dioxolane-2,3'-4,4a,5,8-tetrahydro-2H-benzo[7]annulene]-9',9'-dicarbonitrile.
What is the SMILES notation for spiro[1,3-dioxolane-2,3'-4,4a,5,8-tetrahydro-2H-benzo[7]annulene]-9',9'-dicarbonitrile?
The canonical SMILES for spiro[1,3-dioxolane-2,3'-4,4a,5,8-tetrahydro-2H-benzo[7]annulene]-9',9'-dicarbonitrile is N#CC1(C#N)CC=CCC2CC3(CC=C21)OCCO3.
What is the InChIKey of spiro[1,3-dioxolane-2,3'-4,4a,5,8-tetrahydro-2H-benzo[7]annulene]-9',9'-dicarbonitrile?
The InChIKey is WEYGCVMZSIHFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c16-10-14(11-17)5-2-1-3-12-9-15(6-4-13(12)14)18-7-8-19-15/h1-2,4,12H,3,5-9H2.
What are the key properties of spiro[1,3-dioxolane-2,3'-4,4a,5,8-tetrahydro-2H-benzo[7]annulene]-9',9'-dicarbonitrile?
spiro[1,3-dioxolane-2,3'-4,4a,5,8-tetrahydro-2H-benzo[7]annulene]-9',9'-dicarbonitrile has a molecular weight of 256.30 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dioxolane-2,3'-4,4a,5,8-tetrahydro-2H-benzo[7]annulene]-9',9'-dicarbonitrile is sourced from PubChem (CID 132572174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).