3-[(1Z)-2-methylbuta-1,3-dienyl]pyridine

C10H11N — CID 45079882

IUPAC3-[(1Z)-2-methylbuta-1,3-dienyl]pyridine
SMILESC=C/C(C)=C\c1cccnc1
InChIInChI=1S/C10H11N/c1-3-9(2)7-10-5-4-6-11-8-10/h3-8H,1H2,2H3/b9-7-
InChIKeyBLNUCURBRRRVOU-CLFYSBASSA-N
MW145.20 g/mol
LogP2.67
Rot. Bonds2

About 3-[(1Z)-2-methylbuta-1,3-dienyl]pyridine

3-[(1Z)-2-methylbuta-1,3-dienyl]pyridine (PubChem CID 45079882) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-[(1Z)-2-methylbuta-1,3-dienyl]pyridine.

Molecular Properties

Compound Name3-[(1Z)-2-methylbuta-1,3-dienyl]pyridine
PubChem CID45079882
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name3-[(1Z)-2-methylbuta-1,3-dienyl]pyridine
SMILESC=C/C(C)=C\c1cccnc1
InChIInChI=1S/C10H11N/c1-3-9(2)7-10-5-4-6-11-8-10/h3-8H,1H2,2H3/b9-7-
InChIKeyBLNUCURBRRRVOU-CLFYSBASSA-N
XLogP2.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.67
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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3-(2-methyl-3-nitrosobut-1-enyl)pyridine
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3-[(1Z)-4-methylpenta-1,3-dienyl]pyridine
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3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
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(NZ)-N-[(E)-3-phenyl-4-pyridin-3-ylbut-3-en-2-ylidene]hydroxylamine
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N-(2-methylprop-2-enyl)-1-pyridin-3-ylmethanimine
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3-[(Z)-2-fluoro-2-phenylethenyl]pyridine
CID 141385895
3-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]pyridine
CID 122218067
ethane;(E)-3-pyridin-3-ylprop-2-enamide
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CID 134965441

Frequently Asked Questions

What is the IUPAC name of 3-[(1Z)-2-methylbuta-1,3-dienyl]pyridine?
The IUPAC name of 3-[(1Z)-2-methylbuta-1,3-dienyl]pyridine (CID 45079882) is 3-[(1Z)-2-methylbuta-1,3-dienyl]pyridine.
What is the SMILES notation for 3-[(1Z)-2-methylbuta-1,3-dienyl]pyridine?
The canonical SMILES for 3-[(1Z)-2-methylbuta-1,3-dienyl]pyridine is C=C/C(C)=C\c1cccnc1.
What is the InChIKey of 3-[(1Z)-2-methylbuta-1,3-dienyl]pyridine?
The InChIKey is BLNUCURBRRRVOU-CLFYSBASSA-N. The full InChI is InChI=1S/C10H11N/c1-3-9(2)7-10-5-4-6-11-8-10/h3-8H,1H2,2H3/b9-7-.
What are the key properties of 3-[(1Z)-2-methylbuta-1,3-dienyl]pyridine?
3-[(1Z)-2-methylbuta-1,3-dienyl]pyridine has a molecular weight of 145.20 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1Z)-2-methylbuta-1,3-dienyl]pyridine is sourced from PubChem (CID 45079882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).