(3E,5E)-6-(6-methyl-1,2-dihydropyridin-3-yl)octa-3,5-dien-3-ol

C14H21NO — CID 134405966

IUPAC(3E,5E)-6-(6-methyl-1,2-dihydropyridin-3-yl)octa-3,5-dien-3-ol
SMILESCC/C(O)=C\C=C(/CC)C1=CC=C(C)NC1
InChIInChI=1S/C14H21NO/c1-4-12(8-9-14(16)5-2)13-7-6-11(3)15-10-13/h6-9,15-16H,4-5,10H2,1-3H3/b12-8+,14-9+
InChIKeyOUIDIMWHMSEZHV-MXOVAJDFSA-N
MW219.33 g/mol
LogP3.61
Rot. Bonds4

About (3E,5E)-6-(6-methyl-1,2-dihydropyridin-3-yl)octa-3,5-dien-3-ol

(3E,5E)-6-(6-methyl-1,2-dihydropyridin-3-yl)octa-3,5-dien-3-ol (PubChem CID 134405966) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (3E,5E)-6-(6-methyl-1,2-dihydropyridin-3-yl)octa-3,5-dien-3-ol.

Molecular Properties

Compound Name(3E,5E)-6-(6-methyl-1,2-dihydropyridin-3-yl)octa-3,5-dien-3-ol
PubChem CID134405966
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(3E,5E)-6-(6-methyl-1,2-dihydropyridin-3-yl)octa-3,5-dien-3-ol
SMILESCC/C(O)=C\C=C(/CC)C1=CC=C(C)NC1
InChIInChI=1S/C14H21NO/c1-4-12(8-9-14(16)5-2)13-7-6-11(3)15-10-13/h6-9,15-16H,4-5,10H2,1-3H3/b12-8+,14-9+
InChIKeyOUIDIMWHMSEZHV-MXOVAJDFSA-N
XLogP3.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.61
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 (3E,5E)-6-(6-methyl-1,2-dihydropyridin-3-yl)octa-3,5-dien-3-ol?
The IUPAC name of (3E,5E)-6-(6-methyl-1,2-dihydropyridin-3-yl)octa-3,5-dien-3-ol (CID 134405966) is (3E,5E)-6-(6-methyl-1,2-dihydropyridin-3-yl)octa-3,5-dien-3-ol.
What is the SMILES notation for (3E,5E)-6-(6-methyl-1,2-dihydropyridin-3-yl)octa-3,5-dien-3-ol?
The canonical SMILES for (3E,5E)-6-(6-methyl-1,2-dihydropyridin-3-yl)octa-3,5-dien-3-ol is CC/C(O)=C\C=C(/CC)C1=CC=C(C)NC1.
What is the InChIKey of (3E,5E)-6-(6-methyl-1,2-dihydropyridin-3-yl)octa-3,5-dien-3-ol?
The InChIKey is OUIDIMWHMSEZHV-MXOVAJDFSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-12(8-9-14(16)5-2)13-7-6-11(3)15-10-13/h6-9,15-16H,4-5,10H2,1-3H3/b12-8+,14-9+.
What are the key properties of (3E,5E)-6-(6-methyl-1,2-dihydropyridin-3-yl)octa-3,5-dien-3-ol?
(3E,5E)-6-(6-methyl-1,2-dihydropyridin-3-yl)octa-3,5-dien-3-ol has a molecular weight of 219.33 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-(6-methyl-1,2-dihydropyridin-3-yl)octa-3,5-dien-3-ol is sourced from PubChem (CID 134405966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).