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

C12H19N — CID 70182902

IUPAC1-methyl-5-[(Z)-2-methylpent-1-enyl]-2H-pyridine
SMILESCCC/C(C)=C\C1=CN(C)CC=C1
InChIInChI=1S/C12H19N/c1-4-6-11(2)9-12-7-5-8-13(3)10-12/h5,7,9-10H,4,6,8H2,1-3H3/b11-9-
InChIKeyFWNJHWSZJXCASR-LUAWRHEFSA-N
MW177.29 g/mol
LogP3.12
Rot. Bonds3

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

1-methyl-5-[(Z)-2-methylpent-1-enyl]-2H-pyridine (PubChem CID 70182902) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-methyl-5-[(Z)-2-methylpent-1-enyl]-2H-pyridine.

Molecular Properties

Compound Name1-methyl-5-[(Z)-2-methylpent-1-enyl]-2H-pyridine
PubChem CID70182902
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-methyl-5-[(Z)-2-methylpent-1-enyl]-2H-pyridine
SMILESCCC/C(C)=C\C1=CN(C)CC=C1
InChIInChI=1S/C12H19N/c1-4-6-11(2)9-12-7-5-8-13(3)10-12/h5,7,9-10H,4,6,8H2,1-3H3/b11-9-
InChIKeyFWNJHWSZJXCASR-LUAWRHEFSA-N
XLogP3.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.12
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-methylpent-1-enyl]-2H-pyridine?
The IUPAC name of 1-methyl-5-[(Z)-2-methylpent-1-enyl]-2H-pyridine (CID 70182902) is 1-methyl-5-[(Z)-2-methylpent-1-enyl]-2H-pyridine.
What is the SMILES notation for 1-methyl-5-[(Z)-2-methylpent-1-enyl]-2H-pyridine?
The canonical SMILES for 1-methyl-5-[(Z)-2-methylpent-1-enyl]-2H-pyridine is CCC/C(C)=C\C1=CN(C)CC=C1.
What is the InChIKey of 1-methyl-5-[(Z)-2-methylpent-1-enyl]-2H-pyridine?
The InChIKey is FWNJHWSZJXCASR-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H19N/c1-4-6-11(2)9-12-7-5-8-13(3)10-12/h5,7,9-10H,4,6,8H2,1-3H3/b11-9-.
What are the key properties of 1-methyl-5-[(Z)-2-methylpent-1-enyl]-2H-pyridine?
1-methyl-5-[(Z)-2-methylpent-1-enyl]-2H-pyridine has a molecular weight of 177.29 g/mol, XLogP of 3.12, 3 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-methylpent-1-enyl]-2H-pyridine is sourced from PubChem (CID 70182902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).