(3E,5E,7E,9E)-10-pyridin-3-yldeca-3,5,7,9-tetraen-2-one

C15H15NO — CID 10944128

IUPAC(3E,5E,7E,9E)-10-pyridin-3-yldeca-3,5,7,9-tetraen-2-one
SMILESCC(=O)/C=C/C=C/C=C/C=C/c1cccnc1
InChIInChI=1S/C15H15NO/c1-14(17)9-6-4-2-3-5-7-10-15-11-8-12-16-13-15/h2-13H,1H3/b4-2+,5-3+,9-6+,10-7+
InChIKeyMJNYHZWCFFQCRW-ZUFLRRBNSA-N
MW225.29 g/mol
LogP3.35
Rot. Bonds5

About (3E,5E,7E,9E)-10-pyridin-3-yldeca-3,5,7,9-tetraen-2-one

(3E,5E,7E,9E)-10-pyridin-3-yldeca-3,5,7,9-tetraen-2-one (PubChem CID 10944128) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is (3E,5E,7E,9E)-10-pyridin-3-yldeca-3,5,7,9-tetraen-2-one.

Molecular Properties

Compound Name(3E,5E,7E,9E)-10-pyridin-3-yldeca-3,5,7,9-tetraen-2-one
PubChem CID10944128
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name(3E,5E,7E,9E)-10-pyridin-3-yldeca-3,5,7,9-tetraen-2-one
SMILESCC(=O)/C=C/C=C/C=C/C=C/c1cccnc1
InChIInChI=1S/C15H15NO/c1-14(17)9-6-4-2-3-5-7-10-15-11-8-12-16-13-15/h2-13H,1H3/b4-2+,5-3+,9-6+,10-7+
InChIKeyMJNYHZWCFFQCRW-ZUFLRRBNSA-N
XLogP3.35
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5E,7E,9E)-10-pyridin-3-yldeca-3,5,7,9-tetraen-2-one?
The IUPAC name of (3E,5E,7E,9E)-10-pyridin-3-yldeca-3,5,7,9-tetraen-2-one (CID 10944128) is (3E,5E,7E,9E)-10-pyridin-3-yldeca-3,5,7,9-tetraen-2-one.
What is the SMILES notation for (3E,5E,7E,9E)-10-pyridin-3-yldeca-3,5,7,9-tetraen-2-one?
The canonical SMILES for (3E,5E,7E,9E)-10-pyridin-3-yldeca-3,5,7,9-tetraen-2-one is CC(=O)/C=C/C=C/C=C/C=C/c1cccnc1.
What is the InChIKey of (3E,5E,7E,9E)-10-pyridin-3-yldeca-3,5,7,9-tetraen-2-one?
The InChIKey is MJNYHZWCFFQCRW-ZUFLRRBNSA-N. The full InChI is InChI=1S/C15H15NO/c1-14(17)9-6-4-2-3-5-7-10-15-11-8-12-16-13-15/h2-13H,1H3/b4-2+,5-3+,9-6+,10-7+.
What are the key properties of (3E,5E,7E,9E)-10-pyridin-3-yldeca-3,5,7,9-tetraen-2-one?
(3E,5E,7E,9E)-10-pyridin-3-yldeca-3,5,7,9-tetraen-2-one has a molecular weight of 225.29 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E,9E)-10-pyridin-3-yldeca-3,5,7,9-tetraen-2-one is sourced from PubChem (CID 10944128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).