1-methyl-5-[(Z)-2-methylbut-1-enyl]-2H-pyridine

C11H17N — CID 70182213

IUPAC1-methyl-5-[(Z)-2-methylbut-1-enyl]-2H-pyridine
SMILESCC/C(C)=C\C1=CN(C)CC=C1
InChIInChI=1S/C11H17N/c1-4-10(2)8-11-6-5-7-12(3)9-11/h5-6,8-9H,4,7H2,1-3H3/b10-8-
InChIKeyJJEBTWJZWLZKFZ-NTMALXAHSA-N
MW163.26 g/mol
LogP2.73
Rot. Bonds2

About 1-methyl-5-[(Z)-2-methylbut-1-enyl]-2H-pyridine

1-methyl-5-[(Z)-2-methylbut-1-enyl]-2H-pyridine (PubChem CID 70182213) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1-methyl-5-[(Z)-2-methylbut-1-enyl]-2H-pyridine.

Molecular Properties

Compound Name1-methyl-5-[(Z)-2-methylbut-1-enyl]-2H-pyridine
PubChem CID70182213
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1-methyl-5-[(Z)-2-methylbut-1-enyl]-2H-pyridine
SMILESCC/C(C)=C\C1=CN(C)CC=C1
InChIInChI=1S/C11H17N/c1-4-10(2)8-11-6-5-7-12(3)9-11/h5-6,8-9H,4,7H2,1-3H3/b10-8-
InChIKeyJJEBTWJZWLZKFZ-NTMALXAHSA-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 1-methyl-5-[(Z)-2-methylbut-1-enyl]-2H-pyridine?
The IUPAC name of 1-methyl-5-[(Z)-2-methylbut-1-enyl]-2H-pyridine (CID 70182213) is 1-methyl-5-[(Z)-2-methylbut-1-enyl]-2H-pyridine.
What is the SMILES notation for 1-methyl-5-[(Z)-2-methylbut-1-enyl]-2H-pyridine?
The canonical SMILES for 1-methyl-5-[(Z)-2-methylbut-1-enyl]-2H-pyridine is CC/C(C)=C\C1=CN(C)CC=C1.
What is the InChIKey of 1-methyl-5-[(Z)-2-methylbut-1-enyl]-2H-pyridine?
The InChIKey is JJEBTWJZWLZKFZ-NTMALXAHSA-N. The full InChI is InChI=1S/C11H17N/c1-4-10(2)8-11-6-5-7-12(3)9-11/h5-6,8-9H,4,7H2,1-3H3/b10-8-.
What are the key properties of 1-methyl-5-[(Z)-2-methylbut-1-enyl]-2H-pyridine?
1-methyl-5-[(Z)-2-methylbut-1-enyl]-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 1-methyl-5-[(Z)-2-methylbut-1-enyl]-2H-pyridine is sourced from PubChem (CID 70182213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).