2,3-bis(ethenyl)-1,4-dimethyl-2H-pyridine;ethane

C13H21N — CID 143491336

IUPAC2,3-bis(ethenyl)-1,4-dimethyl-2H-pyridine;ethane
SMILESC=CC1=C(C)C=CN(C)C1C=C.CC
InChIInChI=1S/C11H15N.C2H6/c1-5-10-9(3)7-8-12(4)11(10)6-2;1-2/h5-8,11H,1-2H2,3-4H3;1-2H3
InChIKeyGESPBQLLJAENPN-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.53
Rot. Bonds2

About 2,3-bis(ethenyl)-1,4-dimethyl-2H-pyridine;ethane

2,3-bis(ethenyl)-1,4-dimethyl-2H-pyridine;ethane (PubChem CID 143491336) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-1,4-dimethyl-2H-pyridine;ethane.

Molecular Properties

Compound Name2,3-bis(ethenyl)-1,4-dimethyl-2H-pyridine;ethane
PubChem CID143491336
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2,3-bis(ethenyl)-1,4-dimethyl-2H-pyridine;ethane
SMILESC=CC1=C(C)C=CN(C)C1C=C.CC
InChIInChI=1S/C11H15N.C2H6/c1-5-10-9(3)7-8-12(4)11(10)6-2;1-2/h5-8,11H,1-2H2,3-4H3;1-2H3
InChIKeyGESPBQLLJAENPN-UHFFFAOYSA-N
XLogP3.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-1,4-dimethyl-2H-pyridine;ethane?
The IUPAC name of 2,3-bis(ethenyl)-1,4-dimethyl-2H-pyridine;ethane (CID 143491336) is 2,3-bis(ethenyl)-1,4-dimethyl-2H-pyridine;ethane.
What is the SMILES notation for 2,3-bis(ethenyl)-1,4-dimethyl-2H-pyridine;ethane?
The canonical SMILES for 2,3-bis(ethenyl)-1,4-dimethyl-2H-pyridine;ethane is C=CC1=C(C)C=CN(C)C1C=C.CC.
What is the InChIKey of 2,3-bis(ethenyl)-1,4-dimethyl-2H-pyridine;ethane?
The InChIKey is GESPBQLLJAENPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C2H6/c1-5-10-9(3)7-8-12(4)11(10)6-2;1-2/h5-8,11H,1-2H2,3-4H3;1-2H3.
What are the key properties of 2,3-bis(ethenyl)-1,4-dimethyl-2H-pyridine;ethane?
2,3-bis(ethenyl)-1,4-dimethyl-2H-pyridine;ethane has a molecular weight of 191.32 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-1,4-dimethyl-2H-pyridine;ethane is sourced from PubChem (CID 143491336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).