4-ethenyl-4-methyl-2-phenyloxolane-3,3-dicarbonitrile

C15H14N2O — CID 10752411

IUPAC4-ethenyl-4-methyl-2-phenyloxolane-3,3-dicarbonitrile
SMILESC=CC1(C)COC(c2ccccc2)C1(C#N)C#N
InChIInChI=1S/C15H14N2O/c1-3-14(2)11-18-13(15(14,9-16)10-17)12-7-5-4-6-8-12/h3-8,13H,1,11H2,2H3
InChIKeyYXTLMLOACPQJOJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.98
Rot. Bonds2

About 4-ethenyl-4-methyl-2-phenyloxolane-3,3-dicarbonitrile

4-ethenyl-4-methyl-2-phenyloxolane-3,3-dicarbonitrile (PubChem CID 10752411) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-ethenyl-4-methyl-2-phenyloxolane-3,3-dicarbonitrile.

Molecular Properties

Compound Name4-ethenyl-4-methyl-2-phenyloxolane-3,3-dicarbonitrile
PubChem CID10752411
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name4-ethenyl-4-methyl-2-phenyloxolane-3,3-dicarbonitrile
SMILESC=CC1(C)COC(c2ccccc2)C1(C#N)C#N
InChIInChI=1S/C15H14N2O/c1-3-14(2)11-18-13(15(14,9-16)10-17)12-7-5-4-6-8-12/h3-8,13H,1,11H2,2H3
InChIKeyYXTLMLOACPQJOJ-UHFFFAOYSA-N
XLogP2.98
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-ethenyl-4-methyl-2-phenyloxolane-3,3-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

2-ethenyl-2-methyl-3-phenyloxirane
CID 12508185
(3R,3aR,6R,6aR)-3a-methyl-3,6-diphenyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan
CID 11492874
8,8-dimethyl-2,3-diphenyl-6,10-dioxaspiro[4.5]dec-1-ene-4,4-dicarbonitrile
CID 10893984
(2S,3S)-2-phenyl-3-propan-2-yloxetan-3-ol
CID 100919670
2-phenyl-4-[(E)-2-phenylethenyl]oxolane-3,3-dicarbonitrile
CID 10851777
4-ethenyl-5,5-dimethyl-2-phenyl-1,3-dioxane
CID 68896314
cis-(2R,4S)-4-ethenyl-2-phenylcyclopentane-1,1,3,3-tetracarbonitrile
CID 135061972
(7Z)-7-ethenyl-8-methyl-3-phenyl-3,4-dihydro-2H-1,5-dioxocin-6-one
CID 102298653
[2-phenyl-3-(prop-2-enoyloxymethyl)oxetan-3-yl]methyl prop-2-enoate
CID 154021206
1-methylsulfonyl-3-phenylcyclobutane-1-carbonitrile
CID 65017313
[(2S)-2-methyl-3-phenyloxiran-2-yl]methanol
CID 146013976
(3S,5R)-2,2-ditert-butyl-3-ethenyl-4,4-dimethyl-5-phenyloxasilolane
CID 139121340

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-4-methyl-2-phenyloxolane-3,3-dicarbonitrile?
The IUPAC name of 4-ethenyl-4-methyl-2-phenyloxolane-3,3-dicarbonitrile (CID 10752411) is 4-ethenyl-4-methyl-2-phenyloxolane-3,3-dicarbonitrile.
What is the SMILES notation for 4-ethenyl-4-methyl-2-phenyloxolane-3,3-dicarbonitrile?
The canonical SMILES for 4-ethenyl-4-methyl-2-phenyloxolane-3,3-dicarbonitrile is C=CC1(C)COC(c2ccccc2)C1(C#N)C#N.
What is the InChIKey of 4-ethenyl-4-methyl-2-phenyloxolane-3,3-dicarbonitrile?
The InChIKey is YXTLMLOACPQJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-3-14(2)11-18-13(15(14,9-16)10-17)12-7-5-4-6-8-12/h3-8,13H,1,11H2,2H3.
What are the key properties of 4-ethenyl-4-methyl-2-phenyloxolane-3,3-dicarbonitrile?
4-ethenyl-4-methyl-2-phenyloxolane-3,3-dicarbonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-4-methyl-2-phenyloxolane-3,3-dicarbonitrile is sourced from PubChem (CID 10752411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).