(2E,3Z)-2,3-bis(prop-2-enylidene)thiophene;ethane;(Z)-N-ethenylbut-2-en-1-imine

C20H31NS — CID 177001419

IUPAC(2E,3Z)-2,3-bis(prop-2-enylidene)thiophene;ethane;(Z)-N-ethenylbut-2-en-1-imine
SMILESC=C/C=c1/ccs/c1=C/C=C.C=C/N=C/C=C\C.CC.CC
InChIInChI=1S/C10H10S.C6H9N.2C2H6/c1-3-5-9-7-8-11-10(9)6-4-2;1-3-5-6-7-4-2;2*1-2/h3-8H,1-2H2;3-6H,2H2,1H3;2*1-2H3/b9-5-,10-6+;5-3-,7-6+;;
InChIKeyTXVGFIKICRDQNF-YXGHXJAZSA-N
MW317.54 g/mol
LogP5.51
Rot. Bonds4

About (2E,3Z)-2,3-bis(prop-2-enylidene)thiophene;ethane;(Z)-N-ethenylbut-2-en-1-imine

(2E,3Z)-2,3-bis(prop-2-enylidene)thiophene;ethane;(Z)-N-ethenylbut-2-en-1-imine (PubChem CID 177001419) has the molecular formula C20H31NS and a molecular weight of 317.54 g/mol. Its IUPAC name is (2E,3Z)-2,3-bis(prop-2-enylidene)thiophene;ethane;(Z)-N-ethenylbut-2-en-1-imine.

Molecular Properties

Compound Name(2E,3Z)-2,3-bis(prop-2-enylidene)thiophene;ethane;(Z)-N-ethenylbut-2-en-1-imine
PubChem CID177001419
Molecular FormulaC20H31NS
Molecular Weight317.54 g/mol
Exact Mass317.22
IUPAC Name(2E,3Z)-2,3-bis(prop-2-enylidene)thiophene;ethane;(Z)-N-ethenylbut-2-en-1-imine
SMILESC=C/C=c1/ccs/c1=C/C=C.C=C/N=C/C=C\C.CC.CC
InChIInChI=1S/C10H10S.C6H9N.2C2H6/c1-3-5-9-7-8-11-10(9)6-4-2;1-3-5-6-7-4-2;2*1-2/h3-8H,1-2H2;3-6H,2H2,1H3;2*1-2H3/b9-5-,10-6+;5-3-,7-6+;;
InChIKeyTXVGFIKICRDQNF-YXGHXJAZSA-N
XLogP5.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.54
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (2E,3Z)-2,3-bis(prop-2-enylidene)thiophene;ethane;(Z)-N-ethenylbut-2-en-1-imine with MolForge

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Related Compounds

2H-thieno[2,3-c]azepine
CID 66621567
2H-thieno[2,3-d]azepine
CID 67205879
3H-thieno[3,4-d]azepine
CID 67753477
2-(2-but-2-enylidenethiophen-3-ylidene)-N-methylethanimine
CID 123368043
N-[(E,3Z)-3-(3-methylsulfanylpropylidene)non-1-enyl]ethanimine
CID 123854441
(2Z)-N-methyl-2-(2-methylidenethiophen-3-ylidene)ethanimine
CID 139297349
(3aZ,7Z,9E)-thieno[3,2-c]azocine
CID 139776980
2H-thieno[3,2-i][3]benzazepine
CID 140968436
Thiopyrano[2,3-c]azepine
CID 141202666
(E)-N-ethenyl-3-[(1E,3Z,5Z)-4-methylhepta-1,3,5-trienyl]sulfanylbut-2-en-1-imine
CID 141955722
(Z,2E)-N,3-bis(ethenyl)-2-[(2-methyl-2,3-dihydrothiophen-3-yl)methylidene]pent-3-en-1-imine;ethane
CID 142177842
ethane;N-ethenyl-1-(6-ethenyl-3a,7a-dihydro-1-benzothiophen-5-yl)methanimine
CID 142177844

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2,3-bis(prop-2-enylidene)thiophene;ethane;(Z)-N-ethenylbut-2-en-1-imine?
The IUPAC name of (2E,3Z)-2,3-bis(prop-2-enylidene)thiophene;ethane;(Z)-N-ethenylbut-2-en-1-imine (CID 177001419) is (2E,3Z)-2,3-bis(prop-2-enylidene)thiophene;ethane;(Z)-N-ethenylbut-2-en-1-imine.
What is the SMILES notation for (2E,3Z)-2,3-bis(prop-2-enylidene)thiophene;ethane;(Z)-N-ethenylbut-2-en-1-imine?
The canonical SMILES for (2E,3Z)-2,3-bis(prop-2-enylidene)thiophene;ethane;(Z)-N-ethenylbut-2-en-1-imine is C=C/C=c1/ccs/c1=C/C=C.C=C/N=C/C=C\C.CC.CC.
What is the InChIKey of (2E,3Z)-2,3-bis(prop-2-enylidene)thiophene;ethane;(Z)-N-ethenylbut-2-en-1-imine?
The InChIKey is TXVGFIKICRDQNF-YXGHXJAZSA-N. The full InChI is InChI=1S/C10H10S.C6H9N.2C2H6/c1-3-5-9-7-8-11-10(9)6-4-2;1-3-5-6-7-4-2;2*1-2/h3-8H,1-2H2;3-6H,2H2,1H3;2*1-2H3/b9-5-,10-6+;5-3-,7-6+;;.
What are the key properties of (2E,3Z)-2,3-bis(prop-2-enylidene)thiophene;ethane;(Z)-N-ethenylbut-2-en-1-imine?
(2E,3Z)-2,3-bis(prop-2-enylidene)thiophene;ethane;(Z)-N-ethenylbut-2-en-1-imine has a molecular weight of 317.54 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2,3-bis(prop-2-enylidene)thiophene;ethane;(Z)-N-ethenylbut-2-en-1-imine is sourced from PubChem (CID 177001419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).