ethane;2-[(2Z,4E)-hepta-2,4-dien-4-yl]pyridine

C14H21N — CID 145320713

IUPACethane;2-[(2Z,4E)-hepta-2,4-dien-4-yl]pyridine
SMILESC/C=C\C(=C/CC)c1ccccn1.CC
InChIInChI=1S/C12H15N.C2H6/c1-3-7-11(8-4-2)12-9-5-6-10-13-12;1-2/h3,5-10H,4H2,1-2H3;1-2H3/b7-3-,11-8+;
InChIKeyCTKOYDCJAKYMGM-KJZVLMODSA-N
MW203.33 g/mol
LogP4.48
Rot. Bonds3

About ethane;2-[(2Z,4E)-hepta-2,4-dien-4-yl]pyridine

ethane;2-[(2Z,4E)-hepta-2,4-dien-4-yl]pyridine (PubChem CID 145320713) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is ethane;2-[(2Z,4E)-hepta-2,4-dien-4-yl]pyridine.

Molecular Properties

Compound Nameethane;2-[(2Z,4E)-hepta-2,4-dien-4-yl]pyridine
PubChem CID145320713
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Nameethane;2-[(2Z,4E)-hepta-2,4-dien-4-yl]pyridine
SMILESC/C=C\C(=C/CC)c1ccccn1.CC
InChIInChI=1S/C12H15N.C2H6/c1-3-7-11(8-4-2)12-9-5-6-10-13-12;1-2/h3,5-10H,4H2,1-2H3;1-2H3/b7-3-,11-8+;
InChIKeyCTKOYDCJAKYMGM-KJZVLMODSA-N
XLogP4.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.48
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

2-[(Z)-pent-2-en-2-yl]pyridine
CID 45079825
2-[(3E,5Z)-2-phenylhepta-1,3,5-trien-4-yl]pyridine
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ethane;(Z)-N-[(Z)-prop-1-enyl]-1-pyridin-2-ylbut-2-en-1-imine
CID 142201812
2-[(3Z)-penta-1,3-dien-3-yl]pyridine
CID 147592446
(3Z,5Z,7E)-3-methyl-7-pyridin-2-ylnona-3,5,7-trien-4-amine
CID 142517601
(E)-4-(dimethylamino)-2-pyridin-2-ylbut-2-enal
CID 174583129
(E)-1-pyridin-2-ylprop-1-en-1-amine
CID 55290780
(Z,Z)-N-(methylideneamino)-2-pyridin-2-ylbut-2-en-1-imine
CID 155726107
butane;ethane;1-pyridin-2-ylpropan-1-one
CID 144892300
2-[(E)-1,2-dichloroethenyl]pyridine
CID 146396959
ethane;pyridine-2-carbonyl chloride
CID 158598971
2-(4-phenylbut-2-en-2-yl)pyridine
CID 175479491

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(2Z,4E)-hepta-2,4-dien-4-yl]pyridine?
The IUPAC name of ethane;2-[(2Z,4E)-hepta-2,4-dien-4-yl]pyridine (CID 145320713) is ethane;2-[(2Z,4E)-hepta-2,4-dien-4-yl]pyridine.
What is the SMILES notation for ethane;2-[(2Z,4E)-hepta-2,4-dien-4-yl]pyridine?
The canonical SMILES for ethane;2-[(2Z,4E)-hepta-2,4-dien-4-yl]pyridine is C/C=C\C(=C/CC)c1ccccn1.CC.
What is the InChIKey of ethane;2-[(2Z,4E)-hepta-2,4-dien-4-yl]pyridine?
The InChIKey is CTKOYDCJAKYMGM-KJZVLMODSA-N. The full InChI is InChI=1S/C12H15N.C2H6/c1-3-7-11(8-4-2)12-9-5-6-10-13-12;1-2/h3,5-10H,4H2,1-2H3;1-2H3/b7-3-,11-8+;.
What are the key properties of ethane;2-[(2Z,4E)-hepta-2,4-dien-4-yl]pyridine?
ethane;2-[(2Z,4E)-hepta-2,4-dien-4-yl]pyridine has a molecular weight of 203.33 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(2Z,4E)-hepta-2,4-dien-4-yl]pyridine is sourced from PubChem (CID 145320713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).