4-[(1Z)-buta-1,3-dienyl]-3-ethenyl-2-thia-8-azaspiro[4.5]dec-3-ene

C14H19NS — CID 142015386

IUPAC4-[(1Z)-buta-1,3-dienyl]-3-ethenyl-2-thia-8-azaspiro[4.5]dec-3-ene
SMILESC=C/C=C\C1=C(C=C)SCC12CCNCC2
InChIInChI=1S/C14H19NS/c1-3-5-6-12-13(4-2)16-11-14(12)7-9-15-10-8-14/h3-6,15H,1-2,7-11H2/b6-5-
InChIKeyLRRLBEFEWOGSPM-WAYWQWQTSA-N
MW233.38 g/mol
LogP3.29
Rot. Bonds3

About 4-[(1Z)-buta-1,3-dienyl]-3-ethenyl-2-thia-8-azaspiro[4.5]dec-3-ene

4-[(1Z)-buta-1,3-dienyl]-3-ethenyl-2-thia-8-azaspiro[4.5]dec-3-ene (PubChem CID 142015386) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is 4-[(1Z)-buta-1,3-dienyl]-3-ethenyl-2-thia-8-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name4-[(1Z)-buta-1,3-dienyl]-3-ethenyl-2-thia-8-azaspiro[4.5]dec-3-ene
PubChem CID142015386
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name4-[(1Z)-buta-1,3-dienyl]-3-ethenyl-2-thia-8-azaspiro[4.5]dec-3-ene
SMILESC=C/C=C\C1=C(C=C)SCC12CCNCC2
InChIInChI=1S/C14H19NS/c1-3-5-6-12-13(4-2)16-11-14(12)7-9-15-10-8-14/h3-6,15H,1-2,7-11H2/b6-5-
InChIKeyLRRLBEFEWOGSPM-WAYWQWQTSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-3-ethenyl-2-thia-8-azaspiro[4.5]dec-3-ene?
The IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-3-ethenyl-2-thia-8-azaspiro[4.5]dec-3-ene (CID 142015386) is 4-[(1Z)-buta-1,3-dienyl]-3-ethenyl-2-thia-8-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for 4-[(1Z)-buta-1,3-dienyl]-3-ethenyl-2-thia-8-azaspiro[4.5]dec-3-ene?
The canonical SMILES for 4-[(1Z)-buta-1,3-dienyl]-3-ethenyl-2-thia-8-azaspiro[4.5]dec-3-ene is C=C/C=C\C1=C(C=C)SCC12CCNCC2.
What is the InChIKey of 4-[(1Z)-buta-1,3-dienyl]-3-ethenyl-2-thia-8-azaspiro[4.5]dec-3-ene?
The InChIKey is LRRLBEFEWOGSPM-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H19NS/c1-3-5-6-12-13(4-2)16-11-14(12)7-9-15-10-8-14/h3-6,15H,1-2,7-11H2/b6-5-.
What are the key properties of 4-[(1Z)-buta-1,3-dienyl]-3-ethenyl-2-thia-8-azaspiro[4.5]dec-3-ene?
4-[(1Z)-buta-1,3-dienyl]-3-ethenyl-2-thia-8-azaspiro[4.5]dec-3-ene has a molecular weight of 233.38 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z)-buta-1,3-dienyl]-3-ethenyl-2-thia-8-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 142015386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).