(1E)-1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dien-1-ol

C10H15NO — CID 138482575

IUPAC(1E)-1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dien-1-ol
SMILESC=C/C=C(/O)C1=C(C)CNCC1
InChIInChI=1S/C10H15NO/c1-3-4-10(12)9-5-6-11-7-8(9)2/h3-4,11-12H,1,5-7H2,2H3/b10-4+
InChIKeyQRFANZLCNFDZGQ-ONNFQVAWSA-N
MW165.24 g/mol
LogP1.92
Rot. Bonds2

About (1E)-1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dien-1-ol

(1E)-1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dien-1-ol (PubChem CID 138482575) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (1E)-1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dien-1-ol.

Molecular Properties

Compound Name(1E)-1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dien-1-ol
PubChem CID138482575
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(1E)-1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dien-1-ol
SMILESC=C/C=C(/O)C1=C(C)CNCC1
InChIInChI=1S/C10H15NO/c1-3-4-10(12)9-5-6-11-7-8(9)2/h3-4,11-12H,1,5-7H2,2H3/b10-4+
InChIKeyQRFANZLCNFDZGQ-ONNFQVAWSA-N
XLogP1.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dien-1-ol?
The IUPAC name of (1E)-1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dien-1-ol (CID 138482575) is (1E)-1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dien-1-ol.
What is the SMILES notation for (1E)-1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dien-1-ol?
The canonical SMILES for (1E)-1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dien-1-ol is C=C/C=C(/O)C1=C(C)CNCC1.
What is the InChIKey of (1E)-1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dien-1-ol?
The InChIKey is QRFANZLCNFDZGQ-ONNFQVAWSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-4-10(12)9-5-6-11-7-8(9)2/h3-4,11-12H,1,5-7H2,2H3/b10-4+.
What are the key properties of (1E)-1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dien-1-ol?
(1E)-1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dien-1-ol has a molecular weight of 165.24 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dien-1-ol is sourced from PubChem (CID 138482575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).