3,5-dimethyl-2-[(3Z)-penta-1,3-dien-3-yl]pyridine

C12H15N — CID 130349544

IUPAC3,5-dimethyl-2-[(3Z)-penta-1,3-dien-3-yl]pyridine
SMILESC=C/C(=C/C)c1ncc(C)cc1C
InChIInChI=1S/C12H15N/c1-5-11(6-2)12-10(4)7-9(3)8-13-12/h5-8H,1H2,2-4H3/b11-6-
InChIKeyFLUNYYMPRZCTTP-WDZFZDKYSA-N
MW173.26 g/mol
LogP3.29
Rot. Bonds2

About 3,5-dimethyl-2-[(3Z)-penta-1,3-dien-3-yl]pyridine

3,5-dimethyl-2-[(3Z)-penta-1,3-dien-3-yl]pyridine (PubChem CID 130349544) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 3,5-dimethyl-2-[(3Z)-penta-1,3-dien-3-yl]pyridine.

Molecular Properties

Compound Name3,5-dimethyl-2-[(3Z)-penta-1,3-dien-3-yl]pyridine
PubChem CID130349544
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name3,5-dimethyl-2-[(3Z)-penta-1,3-dien-3-yl]pyridine
SMILESC=C/C(=C/C)c1ncc(C)cc1C
InChIInChI=1S/C12H15N/c1-5-11(6-2)12-10(4)7-9(3)8-13-12/h5-8H,1H2,2-4H3/b11-6-
InChIKeyFLUNYYMPRZCTTP-WDZFZDKYSA-N
XLogP3.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[(3Z)-penta-1,3-dien-3-yl]pyridine?
The IUPAC name of 3,5-dimethyl-2-[(3Z)-penta-1,3-dien-3-yl]pyridine (CID 130349544) is 3,5-dimethyl-2-[(3Z)-penta-1,3-dien-3-yl]pyridine.
What is the SMILES notation for 3,5-dimethyl-2-[(3Z)-penta-1,3-dien-3-yl]pyridine?
The canonical SMILES for 3,5-dimethyl-2-[(3Z)-penta-1,3-dien-3-yl]pyridine is C=C/C(=C/C)c1ncc(C)cc1C.
What is the InChIKey of 3,5-dimethyl-2-[(3Z)-penta-1,3-dien-3-yl]pyridine?
The InChIKey is FLUNYYMPRZCTTP-WDZFZDKYSA-N. The full InChI is InChI=1S/C12H15N/c1-5-11(6-2)12-10(4)7-9(3)8-13-12/h5-8H,1H2,2-4H3/b11-6-.
What are the key properties of 3,5-dimethyl-2-[(3Z)-penta-1,3-dien-3-yl]pyridine?
3,5-dimethyl-2-[(3Z)-penta-1,3-dien-3-yl]pyridine has a molecular weight of 173.26 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[(3Z)-penta-1,3-dien-3-yl]pyridine is sourced from PubChem (CID 130349544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).