2-methyl-6-prop-1-en-2-ylbenzonitrile

C11H11N — CID 138509680

IUPAC2-methyl-6-prop-1-en-2-ylbenzonitrile
SMILESC=C(C)c1cccc(C)c1C#N
InChIInChI=1S/C11H11N/c1-8(2)10-6-4-5-9(3)11(10)7-12/h4-6H,1H2,2-3H3
InChIKeyANXPIAZHBXXNGV-UHFFFAOYSA-N
MW157.22 g/mol
LogP2.90
Rot. Bonds1

About 2-methyl-6-prop-1-en-2-ylbenzonitrile

2-methyl-6-prop-1-en-2-ylbenzonitrile (PubChem CID 138509680) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 2-methyl-6-prop-1-en-2-ylbenzonitrile.

Molecular Properties

Compound Name2-methyl-6-prop-1-en-2-ylbenzonitrile
PubChem CID138509680
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name2-methyl-6-prop-1-en-2-ylbenzonitrile
SMILESC=C(C)c1cccc(C)c1C#N
InChIInChI=1S/C11H11N/c1-8(2)10-6-4-5-9(3)11(10)7-12/h4-6H,1H2,2-3H3
InChIKeyANXPIAZHBXXNGV-UHFFFAOYSA-N
XLogP2.90
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methyl-6-prop-1-en-2-ylbenzonitrile 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-methyl-6-propanoylbenzonitrile
CID 130951607
ethene;1-methyl-2-prop-1-en-2-ylbenzene
CID 142947701
2-cyano-1-prop-1-en-2-yl-3-(sulfamoylamino)benzene
CID 67399580
2-amino-6-methylbenzonitrile;ethane
CID 164904428
benzyl 2-cyano-3-methylbenzoate
CID 172648951
8-prop-1-en-2-ylnaphthalene-2-carbonitrile
CID 22627618
2-[1-(1-benzylimidazol-2-yl)ethenyl]-6-methylbenzonitrile
CID 66771515
1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide
CID 175029396
lithium 1,2-bis(prop-1-en-2-yl)benzene
CID 22717015
2-fluoro-6-(2-methylprop-2-enoyl)benzonitrile
CID 130136976
1,2-bis(prop-1-en-2-yl)benzene;1,4-xylene
CID 143494216
N-(2-cyano-3-methylphenyl)-3-hydroxy-2-methylbenzamide
CID 107799224

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-prop-1-en-2-ylbenzonitrile?
The IUPAC name of 2-methyl-6-prop-1-en-2-ylbenzonitrile (CID 138509680) is 2-methyl-6-prop-1-en-2-ylbenzonitrile.
What is the SMILES notation for 2-methyl-6-prop-1-en-2-ylbenzonitrile?
The canonical SMILES for 2-methyl-6-prop-1-en-2-ylbenzonitrile is C=C(C)c1cccc(C)c1C#N.
What is the InChIKey of 2-methyl-6-prop-1-en-2-ylbenzonitrile?
The InChIKey is ANXPIAZHBXXNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-8(2)10-6-4-5-9(3)11(10)7-12/h4-6H,1H2,2-3H3.
What are the key properties of 2-methyl-6-prop-1-en-2-ylbenzonitrile?
2-methyl-6-prop-1-en-2-ylbenzonitrile has a molecular weight of 157.22 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-prop-1-en-2-ylbenzonitrile is sourced from PubChem (CID 138509680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).