(3E)-3-inden-1-ylidene-2,2-dimethylpropanenitrile

C14H13N — CID 11008841

IUPAC(3E)-3-inden-1-ylidene-2,2-dimethylpropanenitrile
SMILESCC(C)(C#N)/C=C1\C=Cc2ccccc21
InChIInChI=1S/C14H13N/c1-14(2,10-15)9-12-8-7-11-5-3-4-6-13(11)12/h3-9H,1-2H3/b12-9+
InChIKeyOLVMODRNBXGWNL-FMIVXFBMSA-N
MW195.27 g/mol
LogP3.65
Rot. Bonds1

About (3E)-3-inden-1-ylidene-2,2-dimethylpropanenitrile

(3E)-3-inden-1-ylidene-2,2-dimethylpropanenitrile (PubChem CID 11008841) has the molecular formula C14H13N and a molecular weight of 195.27 g/mol. Its IUPAC name is (3E)-3-inden-1-ylidene-2,2-dimethylpropanenitrile.

Molecular Properties

Compound Name(3E)-3-inden-1-ylidene-2,2-dimethylpropanenitrile
PubChem CID11008841
Molecular FormulaC14H13N
Molecular Weight195.27 g/mol
Exact Mass195.10
IUPAC Name(3E)-3-inden-1-ylidene-2,2-dimethylpropanenitrile
SMILESCC(C)(C#N)/C=C1\C=Cc2ccccc21
InChIInChI=1S/C14H13N/c1-14(2,10-15)9-12-8-7-11-5-3-4-6-13(11)12/h3-9H,1-2H3/b12-9+
InChIKeyOLVMODRNBXGWNL-FMIVXFBMSA-N
XLogP3.65
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1E)-1-inden-1-ylidene-N,N-dimethylmethanamine
CID 5382445
1-penta-2,4-dienylideneindene
CID 91326261
(2E)-2-inden-1-ylidene-N,N-dimethylethanamine
CID 6509875
(1E)-1-hexylideneindene
CID 173434056
N-ethyl-2-[(Z)-inden-1-ylidenemethyl]aniline
CID 21139902
2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propanedinitrile
CID 13426325
(1E)-1-[(4-methylsulfanylphenyl)methylidene]indene
CID 5381750
(1Z)-1-[(2-methoxyphenyl)methylidene]indene
CID 92533355
[4-[(Z)-inden-1-ylidenemethyl]phenyl]-trimethylazanium iodide
CID 6444348
(E)-2,2-dimethyl-4-(4-phenylphenyl)but-3-enenitrile
CID 146167998
(1Z)-1-[(4-methylsulfonylphenyl)methylidene]indene
CID 54607021
bicyclo[4.2.0]octa-1,3,5,7-tetraene;prop-1-ene
CID 174841145

Frequently Asked Questions

What is the IUPAC name of (3E)-3-inden-1-ylidene-2,2-dimethylpropanenitrile?
The IUPAC name of (3E)-3-inden-1-ylidene-2,2-dimethylpropanenitrile (CID 11008841) is (3E)-3-inden-1-ylidene-2,2-dimethylpropanenitrile.
What is the SMILES notation for (3E)-3-inden-1-ylidene-2,2-dimethylpropanenitrile?
The canonical SMILES for (3E)-3-inden-1-ylidene-2,2-dimethylpropanenitrile is CC(C)(C#N)/C=C1\C=Cc2ccccc21.
What is the InChIKey of (3E)-3-inden-1-ylidene-2,2-dimethylpropanenitrile?
The InChIKey is OLVMODRNBXGWNL-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H13N/c1-14(2,10-15)9-12-8-7-11-5-3-4-6-13(11)12/h3-9H,1-2H3/b12-9+.
What are the key properties of (3E)-3-inden-1-ylidene-2,2-dimethylpropanenitrile?
(3E)-3-inden-1-ylidene-2,2-dimethylpropanenitrile has a molecular weight of 195.27 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-inden-1-ylidene-2,2-dimethylpropanenitrile is sourced from PubChem (CID 11008841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).