2-[(3E,5Z)-hepta-3,5-dien-2-yl]pyridine

C12H15N — CID 144961155

IUPAC2-[(3E,5Z)-hepta-3,5-dien-2-yl]pyridine
SMILESC/C=C\C=C\C(C)c1ccccn1
InChIInChI=1S/C12H15N/c1-3-4-5-8-11(2)12-9-6-7-10-13-12/h3-11H,1-2H3/b4-3-,8-5+
InChIKeySJJBDIFSGMSEGJ-HMRFFJRGSA-N
MW173.26 g/mol
LogP3.32
Rot. Bonds3

About 2-[(3E,5Z)-hepta-3,5-dien-2-yl]pyridine

2-[(3E,5Z)-hepta-3,5-dien-2-yl]pyridine (PubChem CID 144961155) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-[(3E,5Z)-hepta-3,5-dien-2-yl]pyridine.

Molecular Properties

Compound Name2-[(3E,5Z)-hepta-3,5-dien-2-yl]pyridine
PubChem CID144961155
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name2-[(3E,5Z)-hepta-3,5-dien-2-yl]pyridine
SMILESC/C=C\C=C\C(C)c1ccccn1
InChIInChI=1S/C12H15N/c1-3-4-5-8-11(2)12-9-6-7-10-13-12/h3-11H,1-2H3/b4-3-,8-5+
InChIKeySJJBDIFSGMSEGJ-HMRFFJRGSA-N
XLogP3.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(3E,5Z)-hepta-3,5-dien-2-yl]pyridine?
The IUPAC name of 2-[(3E,5Z)-hepta-3,5-dien-2-yl]pyridine (CID 144961155) is 2-[(3E,5Z)-hepta-3,5-dien-2-yl]pyridine.
What is the SMILES notation for 2-[(3E,5Z)-hepta-3,5-dien-2-yl]pyridine?
The canonical SMILES for 2-[(3E,5Z)-hepta-3,5-dien-2-yl]pyridine is C/C=C\C=C\C(C)c1ccccn1.
What is the InChIKey of 2-[(3E,5Z)-hepta-3,5-dien-2-yl]pyridine?
The InChIKey is SJJBDIFSGMSEGJ-HMRFFJRGSA-N. The full InChI is InChI=1S/C12H15N/c1-3-4-5-8-11(2)12-9-6-7-10-13-12/h3-11H,1-2H3/b4-3-,8-5+.
What are the key properties of 2-[(3E,5Z)-hepta-3,5-dien-2-yl]pyridine?
2-[(3E,5Z)-hepta-3,5-dien-2-yl]pyridine has a molecular weight of 173.26 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,5Z)-hepta-3,5-dien-2-yl]pyridine is sourced from PubChem (CID 144961155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).