2-methyl-6-prop-1-en-2-yl-3,4-dihydro-2H-thiopyran-5-carbonitrile

C10H13NS — CID 130217294

IUPAC2-methyl-6-prop-1-en-2-yl-3,4-dihydro-2H-thiopyran-5-carbonitrile
SMILESC=C(C)C1=C(C#N)CCC(C)S1
InChIInChI=1S/C10H13NS/c1-7(2)10-9(6-11)5-4-8(3)12-10/h8H,1,4-5H2,2-3H3
InChIKeyVHUODVGBAQTFMC-UHFFFAOYSA-N
MW179.29 g/mol
LogP3.26
Rot. Bonds1

About 2-methyl-6-prop-1-en-2-yl-3,4-dihydro-2H-thiopyran-5-carbonitrile

2-methyl-6-prop-1-en-2-yl-3,4-dihydro-2H-thiopyran-5-carbonitrile (PubChem CID 130217294) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 2-methyl-6-prop-1-en-2-yl-3,4-dihydro-2H-thiopyran-5-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-prop-1-en-2-yl-3,4-dihydro-2H-thiopyran-5-carbonitrile
PubChem CID130217294
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name2-methyl-6-prop-1-en-2-yl-3,4-dihydro-2H-thiopyran-5-carbonitrile
SMILESC=C(C)C1=C(C#N)CCC(C)S1
InChIInChI=1S/C10H13NS/c1-7(2)10-9(6-11)5-4-8(3)12-10/h8H,1,4-5H2,2-3H3
InChIKeyVHUODVGBAQTFMC-UHFFFAOYSA-N
XLogP3.26
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-6-prop-1-en-2-yl-3,4-dihydro-2H-thiopyran-5-carbonitrile 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 2-methyl-6-prop-1-en-2-yl-3,4-dihydro-2H-thiopyran-5-carbonitrile?
The IUPAC name of 2-methyl-6-prop-1-en-2-yl-3,4-dihydro-2H-thiopyran-5-carbonitrile (CID 130217294) is 2-methyl-6-prop-1-en-2-yl-3,4-dihydro-2H-thiopyran-5-carbonitrile.
What is the SMILES notation for 2-methyl-6-prop-1-en-2-yl-3,4-dihydro-2H-thiopyran-5-carbonitrile?
The canonical SMILES for 2-methyl-6-prop-1-en-2-yl-3,4-dihydro-2H-thiopyran-5-carbonitrile is C=C(C)C1=C(C#N)CCC(C)S1.
What is the InChIKey of 2-methyl-6-prop-1-en-2-yl-3,4-dihydro-2H-thiopyran-5-carbonitrile?
The InChIKey is VHUODVGBAQTFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-7(2)10-9(6-11)5-4-8(3)12-10/h8H,1,4-5H2,2-3H3.
What are the key properties of 2-methyl-6-prop-1-en-2-yl-3,4-dihydro-2H-thiopyran-5-carbonitrile?
2-methyl-6-prop-1-en-2-yl-3,4-dihydro-2H-thiopyran-5-carbonitrile has a molecular weight of 179.29 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-prop-1-en-2-yl-3,4-dihydro-2H-thiopyran-5-carbonitrile is sourced from PubChem (CID 130217294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).