4-[(Z)-but-1-enyl]-5-methyl-1,2,3,6-tetrahydropyridine-2-carbaldehyde

C11H17NO — CID 143491913

IUPAC4-[(Z)-but-1-enyl]-5-methyl-1,2,3,6-tetrahydropyridine-2-carbaldehyde
SMILESCC/C=C\C1=C(C)CNC(C=O)C1
InChIInChI=1S/C11H17NO/c1-3-4-5-10-6-11(8-13)12-7-9(10)2/h4-5,8,11-12H,3,6-7H2,1-2H3/b5-4-
InChIKeyWPGTWBQXSUAEJQ-PLNGDYQASA-N
MW179.26 g/mol
LogP1.83
Rot. Bonds3

About 4-[(Z)-but-1-enyl]-5-methyl-1,2,3,6-tetrahydropyridine-2-carbaldehyde

4-[(Z)-but-1-enyl]-5-methyl-1,2,3,6-tetrahydropyridine-2-carbaldehyde (PubChem CID 143491913) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-[(Z)-but-1-enyl]-5-methyl-1,2,3,6-tetrahydropyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-[(Z)-but-1-enyl]-5-methyl-1,2,3,6-tetrahydropyridine-2-carbaldehyde
PubChem CID143491913
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-[(Z)-but-1-enyl]-5-methyl-1,2,3,6-tetrahydropyridine-2-carbaldehyde
SMILESCC/C=C\C1=C(C)CNC(C=O)C1
InChIInChI=1S/C11H17NO/c1-3-4-5-10-6-11(8-13)12-7-9(10)2/h4-5,8,11-12H,3,6-7H2,1-2H3/b5-4-
InChIKeyWPGTWBQXSUAEJQ-PLNGDYQASA-N
XLogP1.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-1-enyl]-5-methyl-1,2,3,6-tetrahydropyridine-2-carbaldehyde?
The IUPAC name of 4-[(Z)-but-1-enyl]-5-methyl-1,2,3,6-tetrahydropyridine-2-carbaldehyde (CID 143491913) is 4-[(Z)-but-1-enyl]-5-methyl-1,2,3,6-tetrahydropyridine-2-carbaldehyde.
What is the SMILES notation for 4-[(Z)-but-1-enyl]-5-methyl-1,2,3,6-tetrahydropyridine-2-carbaldehyde?
The canonical SMILES for 4-[(Z)-but-1-enyl]-5-methyl-1,2,3,6-tetrahydropyridine-2-carbaldehyde is CC/C=C\C1=C(C)CNC(C=O)C1.
What is the InChIKey of 4-[(Z)-but-1-enyl]-5-methyl-1,2,3,6-tetrahydropyridine-2-carbaldehyde?
The InChIKey is WPGTWBQXSUAEJQ-PLNGDYQASA-N. The full InChI is InChI=1S/C11H17NO/c1-3-4-5-10-6-11(8-13)12-7-9(10)2/h4-5,8,11-12H,3,6-7H2,1-2H3/b5-4-.
What are the key properties of 4-[(Z)-but-1-enyl]-5-methyl-1,2,3,6-tetrahydropyridine-2-carbaldehyde?
4-[(Z)-but-1-enyl]-5-methyl-1,2,3,6-tetrahydropyridine-2-carbaldehyde has a molecular weight of 179.26 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-1-enyl]-5-methyl-1,2,3,6-tetrahydropyridine-2-carbaldehyde is sourced from PubChem (CID 143491913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).