1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyridin-2-imine

C12H14N2 — CID 130307956

IUPAC1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyridin-2-imine
SMILES[H]/N=c1\ccccn1C(/C=C\C)=C/C=C
InChIInChI=1S/C12H14N2/c1-3-7-11(8-4-2)14-10-6-5-9-12(14)13/h3-10,13H,1H2,2H3/b8-4-,11-7+,13-12+
InChIKeyVSCLEOYOMLKBMQ-SUDAHGPTSA-N
MW186.26 g/mol
LogP2.57
Rot. Bonds3

About 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyridin-2-imine

1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyridin-2-imine (PubChem CID 130307956) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyridin-2-imine.

Molecular Properties

Compound Name1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyridin-2-imine
PubChem CID130307956
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyridin-2-imine
SMILES[H]/N=c1\ccccn1C(/C=C\C)=C/C=C
InChIInChI=1S/C12H14N2/c1-3-7-11(8-4-2)14-10-6-5-9-12(14)13/h3-10,13H,1H2,2H3/b8-4-,11-7+,13-12+
InChIKeyVSCLEOYOMLKBMQ-SUDAHGPTSA-N
XLogP2.57
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyridin-2-imine?
The IUPAC name of 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyridin-2-imine (CID 130307956) is 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyridin-2-imine.
What is the SMILES notation for 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyridin-2-imine?
The canonical SMILES for 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyridin-2-imine is [H]/N=c1\ccccn1C(/C=C\C)=C/C=C.
What is the InChIKey of 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyridin-2-imine?
The InChIKey is VSCLEOYOMLKBMQ-SUDAHGPTSA-N. The full InChI is InChI=1S/C12H14N2/c1-3-7-11(8-4-2)14-10-6-5-9-12(14)13/h3-10,13H,1H2,2H3/b8-4-,11-7+,13-12+.
What are the key properties of 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyridin-2-imine?
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyridin-2-imine has a molecular weight of 186.26 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyridin-2-imine is sourced from PubChem (CID 130307956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).