2-[(2E,5Z,7Z)-4-methylidene-2-propylidenenona-5,7-dienyl]pyridine

C18H23N — CID 126606807

IUPAC2-[(2E,5Z,7Z)-4-methylidene-2-propylidenenona-5,7-dienyl]pyridine
SMILESC=C(/C=C\C=C/C)C/C(=C\CC)Cc1ccccn1
InChIInChI=1S/C18H23N/c1-4-6-7-11-16(3)14-17(10-5-2)15-18-12-8-9-13-19-18/h4,6-13H,3,5,14-15H2,1-2H3/b6-4-,11-7-,17-10+
InChIKeyCTVSBYLGMXWZIE-APIASUFMSA-N
MW253.39 g/mol
LogP5.04
Rot. Bonds7

About 2-[(2E,5Z,7Z)-4-methylidene-2-propylidenenona-5,7-dienyl]pyridine

2-[(2E,5Z,7Z)-4-methylidene-2-propylidenenona-5,7-dienyl]pyridine (PubChem CID 126606807) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[(2E,5Z,7Z)-4-methylidene-2-propylidenenona-5,7-dienyl]pyridine.

Molecular Properties

Compound Name2-[(2E,5Z,7Z)-4-methylidene-2-propylidenenona-5,7-dienyl]pyridine
PubChem CID126606807
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name2-[(2E,5Z,7Z)-4-methylidene-2-propylidenenona-5,7-dienyl]pyridine
SMILESC=C(/C=C\C=C/C)C/C(=C\CC)Cc1ccccn1
InChIInChI=1S/C18H23N/c1-4-6-7-11-16(3)14-17(10-5-2)15-18-12-8-9-13-19-18/h4,6-13H,3,5,14-15H2,1-2H3/b6-4-,11-7-,17-10+
InChIKeyCTVSBYLGMXWZIE-APIASUFMSA-N
XLogP5.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.39
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-ethylpyridine;(2Z,4Z)-6-methylideneocta-2,4-diene
CID 143599197
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CID 144892259
N-(pyridin-2-ylmethyl)hexa-2,4-dienamide
CID 76860381
ethane;2-[(3Z,5E)-6-methyl-2-methylidene-7-pyridin-2-ylhepta-3,5-dienyl]pyridine
CID 172578813
2-(2-methylprop-2-enyl)pyridine
CID 12534227
4-methylidene-1-pyridin-2-ylhexan-2-one
CID 66045043
(1Z,3Z)-5-methylidene-7-pyridin-2-ylhepta-1,3-dien-1-amine
CID 89098917
ethane;2-[(2Z,4E)-hepta-2,4-dien-4-yl]pyridine
CID 145320713
ethane;2-[[3-[(Z)-2-[(Z)-prop-1-enyl]pent-2-enyl]-1H-inden-1-yl]methyl]pyridine
CID 143823173
3-methyl-3-(methylamino)-1-pyridin-2-ylbutan-2-one
CID 116566539
N-(pyridin-2-ylmethyl)but-1-en-2-amine
CID 129060114
(E)-N-(pyridin-2-ylmethyl)but-2-enamide
CID 110459675

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,5Z,7Z)-4-methylidene-2-propylidenenona-5,7-dienyl]pyridine?
The IUPAC name of 2-[(2E,5Z,7Z)-4-methylidene-2-propylidenenona-5,7-dienyl]pyridine (CID 126606807) is 2-[(2E,5Z,7Z)-4-methylidene-2-propylidenenona-5,7-dienyl]pyridine.
What is the SMILES notation for 2-[(2E,5Z,7Z)-4-methylidene-2-propylidenenona-5,7-dienyl]pyridine?
The canonical SMILES for 2-[(2E,5Z,7Z)-4-methylidene-2-propylidenenona-5,7-dienyl]pyridine is C=C(/C=C\C=C/C)C/C(=C\CC)Cc1ccccn1.
What is the InChIKey of 2-[(2E,5Z,7Z)-4-methylidene-2-propylidenenona-5,7-dienyl]pyridine?
The InChIKey is CTVSBYLGMXWZIE-APIASUFMSA-N. The full InChI is InChI=1S/C18H23N/c1-4-6-7-11-16(3)14-17(10-5-2)15-18-12-8-9-13-19-18/h4,6-13H,3,5,14-15H2,1-2H3/b6-4-,11-7-,17-10+.
What are the key properties of 2-[(2E,5Z,7Z)-4-methylidene-2-propylidenenona-5,7-dienyl]pyridine?
2-[(2E,5Z,7Z)-4-methylidene-2-propylidenenona-5,7-dienyl]pyridine has a molecular weight of 253.39 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,5Z,7Z)-4-methylidene-2-propylidenenona-5,7-dienyl]pyridine is sourced from PubChem (CID 126606807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).