4-[3-(1-benzothiophen-2-yl)propyl]-2,3-bis(ethenyl)pyridine

C20H19NS — CID 143504980

IUPAC4-[3-(1-benzothiophen-2-yl)propyl]-2,3-bis(ethenyl)pyridine
SMILESC=Cc1nccc(CCCc2cc3ccccc3s2)c1C=C
InChIInChI=1S/C20H19NS/c1-3-18-15(12-13-21-19(18)4-2)9-7-10-17-14-16-8-5-6-11-20(16)22-17/h3-6,8,11-14H,1-2,7,9-10H2
InChIKeyPIWRBWWZEVZJNQ-UHFFFAOYSA-N
MW305.45 g/mol
LogP5.76
Rot. Bonds6

About 4-[3-(1-benzothiophen-2-yl)propyl]-2,3-bis(ethenyl)pyridine

4-[3-(1-benzothiophen-2-yl)propyl]-2,3-bis(ethenyl)pyridine (PubChem CID 143504980) has the molecular formula C20H19NS and a molecular weight of 305.45 g/mol. Its IUPAC name is 4-[3-(1-benzothiophen-2-yl)propyl]-2,3-bis(ethenyl)pyridine.

Molecular Properties

Compound Name4-[3-(1-benzothiophen-2-yl)propyl]-2,3-bis(ethenyl)pyridine
PubChem CID143504980
Molecular FormulaC20H19NS
Molecular Weight305.45 g/mol
Exact Mass305.12
IUPAC Name4-[3-(1-benzothiophen-2-yl)propyl]-2,3-bis(ethenyl)pyridine
SMILESC=Cc1nccc(CCCc2cc3ccccc3s2)c1C=C
InChIInChI=1S/C20H19NS/c1-3-18-15(12-13-21-19(18)4-2)9-7-10-17-14-16-8-5-6-11-20(16)22-17/h3-6,8,11-14H,1-2,7,9-10H2
InChIKeyPIWRBWWZEVZJNQ-UHFFFAOYSA-N
XLogP5.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.45
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-benzothiophen-2-yl)propyl]-2,3-bis(ethenyl)pyridine?
The IUPAC name of 4-[3-(1-benzothiophen-2-yl)propyl]-2,3-bis(ethenyl)pyridine (CID 143504980) is 4-[3-(1-benzothiophen-2-yl)propyl]-2,3-bis(ethenyl)pyridine.
What is the SMILES notation for 4-[3-(1-benzothiophen-2-yl)propyl]-2,3-bis(ethenyl)pyridine?
The canonical SMILES for 4-[3-(1-benzothiophen-2-yl)propyl]-2,3-bis(ethenyl)pyridine is C=Cc1nccc(CCCc2cc3ccccc3s2)c1C=C.
What is the InChIKey of 4-[3-(1-benzothiophen-2-yl)propyl]-2,3-bis(ethenyl)pyridine?
The InChIKey is PIWRBWWZEVZJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NS/c1-3-18-15(12-13-21-19(18)4-2)9-7-10-17-14-16-8-5-6-11-20(16)22-17/h3-6,8,11-14H,1-2,7,9-10H2.
What are the key properties of 4-[3-(1-benzothiophen-2-yl)propyl]-2,3-bis(ethenyl)pyridine?
4-[3-(1-benzothiophen-2-yl)propyl]-2,3-bis(ethenyl)pyridine has a molecular weight of 305.45 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-benzothiophen-2-yl)propyl]-2,3-bis(ethenyl)pyridine is sourced from PubChem (CID 143504980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).