5-[(E)-but-1-enyl]-1,2-dimethyl-2H-pyridine

C11H17N — CID 70181027

IUPAC5-[(E)-but-1-enyl]-1,2-dimethyl-2H-pyridine
SMILESCC/C=C/C1=CN(C)C(C)C=C1
InChIInChI=1S/C11H17N/c1-4-5-6-11-8-7-10(2)12(3)9-11/h5-10H,4H2,1-3H3/b6-5+
InChIKeyPXFXAFOWGCROHM-AATRIKPKSA-N
MW163.26 g/mol
LogP2.73
Rot. Bonds2

About 5-[(E)-but-1-enyl]-1,2-dimethyl-2H-pyridine

5-[(E)-but-1-enyl]-1,2-dimethyl-2H-pyridine (PubChem CID 70181027) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 5-[(E)-but-1-enyl]-1,2-dimethyl-2H-pyridine.

Molecular Properties

Compound Name5-[(E)-but-1-enyl]-1,2-dimethyl-2H-pyridine
PubChem CID70181027
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name5-[(E)-but-1-enyl]-1,2-dimethyl-2H-pyridine
SMILESCC/C=C/C1=CN(C)C(C)C=C1
InChIInChI=1S/C11H17N/c1-4-5-6-11-8-7-10(2)12(3)9-11/h5-10H,4H2,1-3H3/b6-5+
InChIKeyPXFXAFOWGCROHM-AATRIKPKSA-N
XLogP2.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-but-1-enyl]-1,2-dimethyl-2H-pyridine?
The IUPAC name of 5-[(E)-but-1-enyl]-1,2-dimethyl-2H-pyridine (CID 70181027) is 5-[(E)-but-1-enyl]-1,2-dimethyl-2H-pyridine.
What is the SMILES notation for 5-[(E)-but-1-enyl]-1,2-dimethyl-2H-pyridine?
The canonical SMILES for 5-[(E)-but-1-enyl]-1,2-dimethyl-2H-pyridine is CC/C=C/C1=CN(C)C(C)C=C1.
What is the InChIKey of 5-[(E)-but-1-enyl]-1,2-dimethyl-2H-pyridine?
The InChIKey is PXFXAFOWGCROHM-AATRIKPKSA-N. The full InChI is InChI=1S/C11H17N/c1-4-5-6-11-8-7-10(2)12(3)9-11/h5-10H,4H2,1-3H3/b6-5+.
What are the key properties of 5-[(E)-but-1-enyl]-1,2-dimethyl-2H-pyridine?
5-[(E)-but-1-enyl]-1,2-dimethyl-2H-pyridine has a molecular weight of 163.26 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-but-1-enyl]-1,2-dimethyl-2H-pyridine is sourced from PubChem (CID 70181027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).