(5Z)-3-ethyl-6-methyl-5-pent-3-enylidene-2H-pyridine

C13H19N — CID 91450688

IUPAC(5Z)-3-ethyl-6-methyl-5-pent-3-enylidene-2H-pyridine
SMILESCC=CC/C=C1/C=C(CC)CN=C1C
InChIInChI=1S/C13H19N/c1-4-6-7-8-13-9-12(5-2)10-14-11(13)3/h4,6,8-9H,5,7,10H2,1-3H3/b6-4?,13-8-
InChIKeyQWWAXRNFTIEDPS-HJXYMTPFSA-N
MW189.30 g/mol
LogP3.69
Rot. Bonds3

About (5Z)-3-ethyl-6-methyl-5-pent-3-enylidene-2H-pyridine

(5Z)-3-ethyl-6-methyl-5-pent-3-enylidene-2H-pyridine (PubChem CID 91450688) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (5Z)-3-ethyl-6-methyl-5-pent-3-enylidene-2H-pyridine.

Molecular Properties

Compound Name(5Z)-3-ethyl-6-methyl-5-pent-3-enylidene-2H-pyridine
PubChem CID91450688
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(5Z)-3-ethyl-6-methyl-5-pent-3-enylidene-2H-pyridine
SMILESCC=CC/C=C1/C=C(CC)CN=C1C
InChIInChI=1S/C13H19N/c1-4-6-7-8-13-9-12(5-2)10-14-11(13)3/h4,6,8-9H,5,7,10H2,1-3H3/b6-4?,13-8-
InChIKeyQWWAXRNFTIEDPS-HJXYMTPFSA-N
XLogP3.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-(3,4,5,6-Tetrahydropyridyl))-1,3-pentadiene
CID 6444364
6-Hepta-1,3,5-trienyl-2,3,4,5-tetrahydropyridine
CID 442650
Nigrifactin
CID 5281688
8aH-carbazole
CID 9548747
2H-Indole
CID 19013146
3h-Quinoline
CID 22027752
2-Methylindol-2-ylium
CID 57054412
2-methyl-2H-indole
CID 58371059
4-Methyl-2,3-dihydroquinoline
CID 68274032
Bis-propylideneaniline
CID 129791915
2-fluoro-N-pentylcyclohexa-2,4-dien-1-imine
CID 67831795
(3Z)-3-[(2Z)-4-fluoropenta-2,4-dienylidene]-6-methyl-2H-pyridine
CID 90145839

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-ethyl-6-methyl-5-pent-3-enylidene-2H-pyridine?
The IUPAC name of (5Z)-3-ethyl-6-methyl-5-pent-3-enylidene-2H-pyridine (CID 91450688) is (5Z)-3-ethyl-6-methyl-5-pent-3-enylidene-2H-pyridine.
What is the SMILES notation for (5Z)-3-ethyl-6-methyl-5-pent-3-enylidene-2H-pyridine?
The canonical SMILES for (5Z)-3-ethyl-6-methyl-5-pent-3-enylidene-2H-pyridine is CC=CC/C=C1/C=C(CC)CN=C1C.
What is the InChIKey of (5Z)-3-ethyl-6-methyl-5-pent-3-enylidene-2H-pyridine?
The InChIKey is QWWAXRNFTIEDPS-HJXYMTPFSA-N. The full InChI is InChI=1S/C13H19N/c1-4-6-7-8-13-9-12(5-2)10-14-11(13)3/h4,6,8-9H,5,7,10H2,1-3H3/b6-4?,13-8-.
What are the key properties of (5Z)-3-ethyl-6-methyl-5-pent-3-enylidene-2H-pyridine?
(5Z)-3-ethyl-6-methyl-5-pent-3-enylidene-2H-pyridine has a molecular weight of 189.30 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-ethyl-6-methyl-5-pent-3-enylidene-2H-pyridine is sourced from PubChem (CID 91450688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).