3'-methylidenespiro[1,3-dioxolane-2,6'-4,4a,5,7-tetrahydro-2H-naphthalene]-1',1'-dicarbonitrile

C15H16N2O2 — CID 134348142

IUPAC3'-methylidenespiro[1,3-dioxolane-2,6'-4,4a,5,7-tetrahydro-2H-naphthalene]-1',1'-dicarbonitrile
SMILESC=C1CC2CC3(CC=C2C(C#N)(C#N)C1)OCCO3
InChIInChI=1S/C15H16N2O2/c1-11-6-12-8-15(18-4-5-19-15)3-2-13(12)14(7-11,9-16)10-17/h2,12H,1,3-8H2
InChIKeyGKSCOBSQKSJOCJ-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.45
Rot. Bonds

About 3'-methylidenespiro[1,3-dioxolane-2,6'-4,4a,5,7-tetrahydro-2H-naphthalene]-1',1'-dicarbonitrile

3'-methylidenespiro[1,3-dioxolane-2,6'-4,4a,5,7-tetrahydro-2H-naphthalene]-1',1'-dicarbonitrile (PubChem CID 134348142) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3'-methylidenespiro[1,3-dioxolane-2,6'-4,4a,5,7-tetrahydro-2H-naphthalene]-1',1'-dicarbonitrile.

Molecular Properties

Compound Name3'-methylidenespiro[1,3-dioxolane-2,6'-4,4a,5,7-tetrahydro-2H-naphthalene]-1',1'-dicarbonitrile
PubChem CID134348142
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name3'-methylidenespiro[1,3-dioxolane-2,6'-4,4a,5,7-tetrahydro-2H-naphthalene]-1',1'-dicarbonitrile
SMILESC=C1CC2CC3(CC=C2C(C#N)(C#N)C1)OCCO3
InChIInChI=1S/C15H16N2O2/c1-11-6-12-8-15(18-4-5-19-15)3-2-13(12)14(7-11,9-16)10-17/h2,12H,1,3-8H2
InChIKeyGKSCOBSQKSJOCJ-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 3'-methylidenespiro[1,3-dioxolane-2,6'-4,4a,5,7-tetrahydro-2H-naphthalene]-1',1'-dicarbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

spiro[1,3-dioxolane-2,3'-4,4a,5,8-tetrahydro-2H-benzo[7]annulene]-9',9'-dicarbonitrile
CID 132572174
5-Cyano-7-isopropenyl-4a-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene-2-spiro-2'-[1,3]-dioxolane
CID 7103238
8,8-Ethylenedioxy-1,2,3,4,4a,6,7,8,cis-8a,9,10,trans-10a-dodecahydro-4a,8a-dimethyl-2-phenanthrylidenemalononitrile
CID 559657
(4'aR,8'aR)-1',1'-dimethylspiro[1,3-dioxolane-2,6'-3,4,5,8a-tetrahydro-2H-naphthalene]-4'a-carbonitrile
CID 21770956
(10R,13S)-10,13-dimethylspiro[1,2,4,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-carbonitrile
CID 16395845
2-Prop-2-enyl-2-(7-prop-2-enyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)propanedinitrile
CID 134348154
6'-methylspiro[1,3-dioxolane-2,3'-4,4a,5,8-tetrahydro-2H-benzo[7]annulene]-9',9'-dicarbonitrile
CID 134348163
2-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)-2-prop-2-enylpropanedinitrile
CID 134348199
2-[7-(2-Methylprop-2-enyl)-1,4-dioxaspiro[4.5]dec-8-en-8-yl]-2-prop-2-enylpropanedinitrile
CID 134348208
Spiro[1,3,5,6,7,8,9,9a-octahydrobenzo[7]annulene-2,2'-1,3-dioxolane]-5-carbonitrile
CID 134357541
2-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)-2-prop-2-ynylpropanedinitrile
CID 138625130
(8aR)-4,4,8a-trimethyl-3-oxospiro[1,2,6,8-tetrahydronaphthalene-7,2'-1,3-dioxolane]-2-carbonitrile
CID 138660909

Frequently Asked Questions

What is the IUPAC name of 3'-methylidenespiro[1,3-dioxolane-2,6'-4,4a,5,7-tetrahydro-2H-naphthalene]-1',1'-dicarbonitrile?
The IUPAC name of 3'-methylidenespiro[1,3-dioxolane-2,6'-4,4a,5,7-tetrahydro-2H-naphthalene]-1',1'-dicarbonitrile (CID 134348142) is 3'-methylidenespiro[1,3-dioxolane-2,6'-4,4a,5,7-tetrahydro-2H-naphthalene]-1',1'-dicarbonitrile.
What is the SMILES notation for 3'-methylidenespiro[1,3-dioxolane-2,6'-4,4a,5,7-tetrahydro-2H-naphthalene]-1',1'-dicarbonitrile?
The canonical SMILES for 3'-methylidenespiro[1,3-dioxolane-2,6'-4,4a,5,7-tetrahydro-2H-naphthalene]-1',1'-dicarbonitrile is C=C1CC2CC3(CC=C2C(C#N)(C#N)C1)OCCO3.
What is the InChIKey of 3'-methylidenespiro[1,3-dioxolane-2,6'-4,4a,5,7-tetrahydro-2H-naphthalene]-1',1'-dicarbonitrile?
The InChIKey is GKSCOBSQKSJOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-6-12-8-15(18-4-5-19-15)3-2-13(12)14(7-11,9-16)10-17/h2,12H,1,3-8H2.
What are the key properties of 3'-methylidenespiro[1,3-dioxolane-2,6'-4,4a,5,7-tetrahydro-2H-naphthalene]-1',1'-dicarbonitrile?
3'-methylidenespiro[1,3-dioxolane-2,6'-4,4a,5,7-tetrahydro-2H-naphthalene]-1',1'-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 3'-methylidenespiro[1,3-dioxolane-2,6'-4,4a,5,7-tetrahydro-2H-naphthalene]-1',1'-dicarbonitrile is sourced from PubChem (CID 134348142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).