4-ethenylsulfanyl-5-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]-3,6-dihydro-2H-pyridine

C17H23NS — CID 129127064

IUPAC4-ethenylsulfanyl-5-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]-3,6-dihydro-2H-pyridine
SMILESC=C/C=C\C(=C/C=C)CN1CCC(SC=C)=C(C)C1
InChIInChI=1S/C17H23NS/c1-5-8-10-16(9-6-2)14-18-12-11-17(19-7-3)15(4)13-18/h5-10H,1-3,11-14H2,4H3/b10-8-,16-9+
InChIKeyWRCYYXZJJDRAQH-PWDATKAESA-N
MW273.45 g/mol
LogP4.70
Rot. Bonds7

About 4-ethenylsulfanyl-5-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]-3,6-dihydro-2H-pyridine

4-ethenylsulfanyl-5-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]-3,6-dihydro-2H-pyridine (PubChem CID 129127064) has the molecular formula C17H23NS and a molecular weight of 273.45 g/mol. Its IUPAC name is 4-ethenylsulfanyl-5-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-ethenylsulfanyl-5-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]-3,6-dihydro-2H-pyridine
PubChem CID129127064
Molecular FormulaC17H23NS
Molecular Weight273.45 g/mol
Exact Mass273.16
IUPAC Name4-ethenylsulfanyl-5-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]-3,6-dihydro-2H-pyridine
SMILESC=C/C=C\C(=C/C=C)CN1CCC(SC=C)=C(C)C1
InChIInChI=1S/C17H23NS/c1-5-8-10-16(9-6-2)14-18-12-11-17(19-7-3)15(4)13-18/h5-10H,1-3,11-14H2,4H3/b10-8-,16-9+
InChIKeyWRCYYXZJJDRAQH-PWDATKAESA-N
XLogP4.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 54.70
H-Bond Donors ≤ 50
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-ethenylsulfanyl-5-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-ethenylsulfanyl-5-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]-3,6-dihydro-2H-pyridine (CID 129127064) is 4-ethenylsulfanyl-5-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-ethenylsulfanyl-5-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-ethenylsulfanyl-5-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]-3,6-dihydro-2H-pyridine is C=C/C=C\C(=C/C=C)CN1CCC(SC=C)=C(C)C1.
What is the InChIKey of 4-ethenylsulfanyl-5-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]-3,6-dihydro-2H-pyridine?
The InChIKey is WRCYYXZJJDRAQH-PWDATKAESA-N. The full InChI is InChI=1S/C17H23NS/c1-5-8-10-16(9-6-2)14-18-12-11-17(19-7-3)15(4)13-18/h5-10H,1-3,11-14H2,4H3/b10-8-,16-9+.
What are the key properties of 4-ethenylsulfanyl-5-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]-3,6-dihydro-2H-pyridine?
4-ethenylsulfanyl-5-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]-3,6-dihydro-2H-pyridine has a molecular weight of 273.45 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylsulfanyl-5-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 129127064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).