6-ethyl-2-methyl-3-[(Z)-pent-1-en-3-ynyl]pyridine

C13H15N — CID 155425619

IUPAC6-ethyl-2-methyl-3-[(Z)-pent-1-en-3-ynyl]pyridine
SMILESCC#C/C=C\c1ccc(CC)nc1C
InChIInChI=1S/C13H15N/c1-4-6-7-8-12-9-10-13(5-2)14-11(12)3/h7-10H,5H2,1-3H3/b8-7-
InChIKeyWKJCFZHQOWQYAW-FPLPWBNLSA-N
MW185.27 g/mol
LogP2.99
Rot. Bonds2

About 6-ethyl-2-methyl-3-[(Z)-pent-1-en-3-ynyl]pyridine

6-ethyl-2-methyl-3-[(Z)-pent-1-en-3-ynyl]pyridine (PubChem CID 155425619) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 6-ethyl-2-methyl-3-[(Z)-pent-1-en-3-ynyl]pyridine.

Molecular Properties

Compound Name6-ethyl-2-methyl-3-[(Z)-pent-1-en-3-ynyl]pyridine
PubChem CID155425619
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name6-ethyl-2-methyl-3-[(Z)-pent-1-en-3-ynyl]pyridine
SMILESCC#C/C=C\c1ccc(CC)nc1C
InChIInChI=1S/C13H15N/c1-4-6-7-8-12-9-10-13(5-2)14-11(12)3/h7-10H,5H2,1-3H3/b8-7-
InChIKeyWKJCFZHQOWQYAW-FPLPWBNLSA-N
XLogP2.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-3-[(Z)-pent-1-en-3-ynyl]pyridine?
The IUPAC name of 6-ethyl-2-methyl-3-[(Z)-pent-1-en-3-ynyl]pyridine (CID 155425619) is 6-ethyl-2-methyl-3-[(Z)-pent-1-en-3-ynyl]pyridine.
What is the SMILES notation for 6-ethyl-2-methyl-3-[(Z)-pent-1-en-3-ynyl]pyridine?
The canonical SMILES for 6-ethyl-2-methyl-3-[(Z)-pent-1-en-3-ynyl]pyridine is CC#C/C=C\c1ccc(CC)nc1C.
What is the InChIKey of 6-ethyl-2-methyl-3-[(Z)-pent-1-en-3-ynyl]pyridine?
The InChIKey is WKJCFZHQOWQYAW-FPLPWBNLSA-N. The full InChI is InChI=1S/C13H15N/c1-4-6-7-8-12-9-10-13(5-2)14-11(12)3/h7-10H,5H2,1-3H3/b8-7-.
What are the key properties of 6-ethyl-2-methyl-3-[(Z)-pent-1-en-3-ynyl]pyridine?
6-ethyl-2-methyl-3-[(Z)-pent-1-en-3-ynyl]pyridine has a molecular weight of 185.27 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-3-[(Z)-pent-1-en-3-ynyl]pyridine is sourced from PubChem (CID 155425619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).