2-(3-methylbuta-1,3-dien-2-yl)pyridine

C10H11N — CID 91495924

IUPAC2-(3-methylbuta-1,3-dien-2-yl)pyridine
SMILESC=C(C)C(=C)c1ccccn1
InChIInChI=1S/C10H11N/c1-8(2)9(3)10-6-4-5-7-11-10/h4-7H,1,3H2,2H3
InChIKeyCWCGIZMCUPNKPD-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.67
Rot. Bonds2

About 2-(3-methylbuta-1,3-dien-2-yl)pyridine

2-(3-methylbuta-1,3-dien-2-yl)pyridine (PubChem CID 91495924) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-(3-methylbuta-1,3-dien-2-yl)pyridine.

Molecular Properties

Compound Name2-(3-methylbuta-1,3-dien-2-yl)pyridine
PubChem CID91495924
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name2-(3-methylbuta-1,3-dien-2-yl)pyridine
SMILESC=C(C)C(=C)c1ccccn1
InChIInChI=1S/C10H11N/c1-8(2)9(3)10-6-4-5-7-11-10/h4-7H,1,3H2,2H3
InChIKeyCWCGIZMCUPNKPD-UHFFFAOYSA-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

2-methylprop-2-enoic acid;pyridine-2-carboxylic acid
CID 174790121
1-pyridin-2-ylethanethione
CID 89010255
1-pyridin-2-ylethenylhydrazine
CID 170235415
N-(2-methylprop-2-enoyl)pyridine-2-carboxamide
CID 22568298
1-pyridin-2-ylethanone;dihydrochloride
CID 174550471
propan-2-one;1-pyridin-2-ylethanone
CID 158043833
trimethyl(1-pyridin-2-ylethenoxy)silane
CID 13033707
molecular iodine;1-pyridin-2-ylethanone
CID 169427217
N-methyl-1-pyridin-2-ylethanimine
CID 12970828
2-(1-propan-2-yloxyethenyl)pyridine
CID 15561064
(E)-2-pyridin-2-ylprop-1-en-1-amine
CID 22861961
bicyclo[2.2.0]hexa-1,3,5-triene;1-pyridin-2-ylethanone
CID 22757609

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbuta-1,3-dien-2-yl)pyridine?
The IUPAC name of 2-(3-methylbuta-1,3-dien-2-yl)pyridine (CID 91495924) is 2-(3-methylbuta-1,3-dien-2-yl)pyridine.
What is the SMILES notation for 2-(3-methylbuta-1,3-dien-2-yl)pyridine?
The canonical SMILES for 2-(3-methylbuta-1,3-dien-2-yl)pyridine is C=C(C)C(=C)c1ccccn1.
What is the InChIKey of 2-(3-methylbuta-1,3-dien-2-yl)pyridine?
The InChIKey is CWCGIZMCUPNKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-8(2)9(3)10-6-4-5-7-11-10/h4-7H,1,3H2,2H3.
What are the key properties of 2-(3-methylbuta-1,3-dien-2-yl)pyridine?
2-(3-methylbuta-1,3-dien-2-yl)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 2-(3-methylbuta-1,3-dien-2-yl)pyridine is sourced from PubChem (CID 91495924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).