4-methyl-5-[(2Z)-penta-2,4-dienyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde

C12H17NO — CID 143357075

IUPAC4-methyl-5-[(2Z)-penta-2,4-dienyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde
SMILESC=C/C=C\CC1=C(C)CCN(C=O)C1
InChIInChI=1S/C12H17NO/c1-3-4-5-6-12-9-13(10-14)8-7-11(12)2/h3-5,10H,1,6-9H2,2H3/b5-4-
InChIKeyVUXVQABWLSWVIX-PLNGDYQASA-N
MW191.27 g/mol
LogP2.30
Rot. Bonds4

About 4-methyl-5-[(2Z)-penta-2,4-dienyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde

4-methyl-5-[(2Z)-penta-2,4-dienyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde (PubChem CID 143357075) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-methyl-5-[(2Z)-penta-2,4-dienyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde.

Molecular Properties

Compound Name4-methyl-5-[(2Z)-penta-2,4-dienyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde
PubChem CID143357075
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-methyl-5-[(2Z)-penta-2,4-dienyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde
SMILESC=C/C=C\CC1=C(C)CCN(C=O)C1
InChIInChI=1S/C12H17NO/c1-3-4-5-6-12-9-13(10-14)8-7-11(12)2/h3-5,10H,1,6-9H2,2H3/b5-4-
InChIKeyVUXVQABWLSWVIX-PLNGDYQASA-N
XLogP2.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(2Z)-penta-2,4-dienyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde?
The IUPAC name of 4-methyl-5-[(2Z)-penta-2,4-dienyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde (CID 143357075) is 4-methyl-5-[(2Z)-penta-2,4-dienyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde.
What is the SMILES notation for 4-methyl-5-[(2Z)-penta-2,4-dienyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde?
The canonical SMILES for 4-methyl-5-[(2Z)-penta-2,4-dienyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde is C=C/C=C\CC1=C(C)CCN(C=O)C1.
What is the InChIKey of 4-methyl-5-[(2Z)-penta-2,4-dienyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde?
The InChIKey is VUXVQABWLSWVIX-PLNGDYQASA-N. The full InChI is InChI=1S/C12H17NO/c1-3-4-5-6-12-9-13(10-14)8-7-11(12)2/h3-5,10H,1,6-9H2,2H3/b5-4-.
What are the key properties of 4-methyl-5-[(2Z)-penta-2,4-dienyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde?
4-methyl-5-[(2Z)-penta-2,4-dienyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde has a molecular weight of 191.27 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(2Z)-penta-2,4-dienyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde is sourced from PubChem (CID 143357075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).