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

C10H15N — CID 67467794

IUPAC5-[(E)-but-1-enyl]-1-methyl-2H-pyridine
SMILESCC/C=C/C1=CN(C)CC=C1
InChIInChI=1S/C10H15N/c1-3-4-6-10-7-5-8-11(2)9-10/h4-7,9H,3,8H2,1-2H3/b6-4+
InChIKeyFTXMMXPCKAXQHF-GQCTYLIASA-N
MW149.24 g/mol
LogP2.34
Rot. Bonds2

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

5-[(E)-but-1-enyl]-1-methyl-2H-pyridine (PubChem CID 67467794) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 5-[(E)-but-1-enyl]-1-methyl-2H-pyridine.

Molecular Properties

Compound Name5-[(E)-but-1-enyl]-1-methyl-2H-pyridine
PubChem CID67467794
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name5-[(E)-but-1-enyl]-1-methyl-2H-pyridine
SMILESCC/C=C/C1=CN(C)CC=C1
InChIInChI=1S/C10H15N/c1-3-4-6-10-7-5-8-11(2)9-10/h4-7,9H,3,8H2,1-2H3/b6-4+
InChIKeyFTXMMXPCKAXQHF-GQCTYLIASA-N
XLogP2.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.34
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-methyl-2H-pyridine?
The IUPAC name of 5-[(E)-but-1-enyl]-1-methyl-2H-pyridine (CID 67467794) is 5-[(E)-but-1-enyl]-1-methyl-2H-pyridine.
What is the SMILES notation for 5-[(E)-but-1-enyl]-1-methyl-2H-pyridine?
The canonical SMILES for 5-[(E)-but-1-enyl]-1-methyl-2H-pyridine is CC/C=C/C1=CN(C)CC=C1.
What is the InChIKey of 5-[(E)-but-1-enyl]-1-methyl-2H-pyridine?
The InChIKey is FTXMMXPCKAXQHF-GQCTYLIASA-N. The full InChI is InChI=1S/C10H15N/c1-3-4-6-10-7-5-8-11(2)9-10/h4-7,9H,3,8H2,1-2H3/b6-4+.
What are the key properties of 5-[(E)-but-1-enyl]-1-methyl-2H-pyridine?
5-[(E)-but-1-enyl]-1-methyl-2H-pyridine has a molecular weight of 149.24 g/mol, XLogP of 2.34, 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-methyl-2H-pyridine is sourced from PubChem (CID 67467794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).