3-oct-2-en-3-yl-2-prop-1-enylthieno[2,3-b]pyridine;hydroiodide

C18H24INS — CID 173300657

IUPAC3-oct-2-en-3-yl-2-prop-1-enylthieno[2,3-b]pyridine;hydroiodide
SMILESCC=Cc1sc2ncccc2c1C(=CC)CCCCC.I
InChIInChI=1S/C18H23NS.HI/c1-4-7-8-11-14(6-3)17-15-12-9-13-19-18(15)20-16(17)10-5-2;/h5-6,9-10,12-13H,4,7-8,11H2,1-3H3;1H
InChIKeyZNCRZFLHKUDKTB-UHFFFAOYSA-N
MW413.37 g/mol
LogP6.93
Rot. Bonds6

About 3-oct-2-en-3-yl-2-prop-1-enylthieno[2,3-b]pyridine;hydroiodide

3-oct-2-en-3-yl-2-prop-1-enylthieno[2,3-b]pyridine;hydroiodide (PubChem CID 173300657) has the molecular formula C18H24INS and a molecular weight of 413.37 g/mol. Its IUPAC name is 3-oct-2-en-3-yl-2-prop-1-enylthieno[2,3-b]pyridine;hydroiodide.

Molecular Properties

Compound Name3-oct-2-en-3-yl-2-prop-1-enylthieno[2,3-b]pyridine;hydroiodide
PubChem CID173300657
Molecular FormulaC18H24INS
Molecular Weight413.37 g/mol
Exact Mass413.07
IUPAC Name3-oct-2-en-3-yl-2-prop-1-enylthieno[2,3-b]pyridine;hydroiodide
SMILESCC=Cc1sc2ncccc2c1C(=CC)CCCCC.I
InChIInChI=1S/C18H23NS.HI/c1-4-7-8-11-14(6-3)17-15-12-9-13-19-18(15)20-16(17)10-5-2;/h5-6,9-10,12-13H,4,7-8,11H2,1-3H3;1H
InChIKeyZNCRZFLHKUDKTB-UHFFFAOYSA-N
XLogP6.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.37
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-oct-2-en-3-yl-2-prop-1-enylthieno[2,3-b]pyridine;hydroiodide with MolForge

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Related Compounds

3-butylsulfanylthieno[2,3-b]pyridine-2-carboxylic acid
CID 67872843
3-methylthieno[2,3-b]pyridine-2-carbaldehyde
CID 82374291
2-[(E)-1-phenylhept-1-en-2-yl]-1H-imidazo[4,5-b]pyridine
CID 59785202
1-(2-methyl-3-pyridinyl)hexan-1-one
CID 105087719
1-quinolin-5-ylhexan-1-one
CID 115789824
N-butyl-3-methoxythieno[2,3-b]pyridine-2-carboxamide
CID 54278468
[(E)-hept-2-en-3-yl]benzene
CID 14568345
1-bromo-4-non-2-en-3-ylbenzene
CID 150309996
[(Z)-1-methylsulfanylhept-1-en-2-yl]benzene
CID 11672996
2-[4-[4-[5-(cyclohexen-1-yl)-4-[(E)-hept-2-en-3-yl]-3-phenylthiophen-2-yl]phenyl]naphthalen-1-yl]-1,10-phenanthroline
CID 167110356
pyridin-2-yl hexadecanoate;hydrochloride
CID 70209736
2-butyl-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 5271647

Frequently Asked Questions

What is the IUPAC name of 3-oct-2-en-3-yl-2-prop-1-enylthieno[2,3-b]pyridine;hydroiodide?
The IUPAC name of 3-oct-2-en-3-yl-2-prop-1-enylthieno[2,3-b]pyridine;hydroiodide (CID 173300657) is 3-oct-2-en-3-yl-2-prop-1-enylthieno[2,3-b]pyridine;hydroiodide.
What is the SMILES notation for 3-oct-2-en-3-yl-2-prop-1-enylthieno[2,3-b]pyridine;hydroiodide?
The canonical SMILES for 3-oct-2-en-3-yl-2-prop-1-enylthieno[2,3-b]pyridine;hydroiodide is CC=Cc1sc2ncccc2c1C(=CC)CCCCC.I.
What is the InChIKey of 3-oct-2-en-3-yl-2-prop-1-enylthieno[2,3-b]pyridine;hydroiodide?
The InChIKey is ZNCRZFLHKUDKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS.HI/c1-4-7-8-11-14(6-3)17-15-12-9-13-19-18(15)20-16(17)10-5-2;/h5-6,9-10,12-13H,4,7-8,11H2,1-3H3;1H.
What are the key properties of 3-oct-2-en-3-yl-2-prop-1-enylthieno[2,3-b]pyridine;hydroiodide?
3-oct-2-en-3-yl-2-prop-1-enylthieno[2,3-b]pyridine;hydroiodide has a molecular weight of 413.37 g/mol, XLogP of 6.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oct-2-en-3-yl-2-prop-1-enylthieno[2,3-b]pyridine;hydroiodide is sourced from PubChem (CID 173300657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).