1-[1-[5-[[(2E,3Z)-3-ethylidene-2-[(Z)-hex-2-enylidene]pyrrol-1-yl]methyl]thiophen-3-yl]ethenyl]piperidine

C24H32N2S — CID 145324085

IUPAC1-[1-[5-[[(2E,3Z)-3-ethylidene-2-[(Z)-hex-2-enylidene]pyrrol-1-yl]methyl]thiophen-3-yl]ethenyl]piperidine
SMILESC=C(c1csc(Cn2ccc(=C/C)/c2=C\C=C/CCC)c1)N1CCCCC1
InChIInChI=1S/C24H32N2S/c1-4-6-7-9-12-24-21(5-2)13-16-26(24)18-23-17-22(19-27-23)20(3)25-14-10-8-11-15-25/h5,7,9,12-13,16-17,19H,3-4,6,8,10-11,14-15,18H2,1-2H3/b9-7-,21-5-,24-12+
InChIKeyACYHHTQYARQGFF-FZWNSSRYSA-N
MW380.60 g/mol
LogP4.99
Rot. Bonds7

About 1-[1-[5-[[(2E,3Z)-3-ethylidene-2-[(Z)-hex-2-enylidene]pyrrol-1-yl]methyl]thiophen-3-yl]ethenyl]piperidine

1-[1-[5-[[(2E,3Z)-3-ethylidene-2-[(Z)-hex-2-enylidene]pyrrol-1-yl]methyl]thiophen-3-yl]ethenyl]piperidine (PubChem CID 145324085) has the molecular formula C24H32N2S and a molecular weight of 380.60 g/mol. Its IUPAC name is 1-[1-[5-[[(2E,3Z)-3-ethylidene-2-[(Z)-hex-2-enylidene]pyrrol-1-yl]methyl]thiophen-3-yl]ethenyl]piperidine.

Molecular Properties

Compound Name1-[1-[5-[[(2E,3Z)-3-ethylidene-2-[(Z)-hex-2-enylidene]pyrrol-1-yl]methyl]thiophen-3-yl]ethenyl]piperidine
PubChem CID145324085
Molecular FormulaC24H32N2S
Molecular Weight380.60 g/mol
Exact Mass380.23
IUPAC Name1-[1-[5-[[(2E,3Z)-3-ethylidene-2-[(Z)-hex-2-enylidene]pyrrol-1-yl]methyl]thiophen-3-yl]ethenyl]piperidine
SMILESC=C(c1csc(Cn2ccc(=C/C)/c2=C\C=C/CCC)c1)N1CCCCC1
InChIInChI=1S/C24H32N2S/c1-4-6-7-9-12-24-21(5-2)13-16-26(24)18-23-17-22(19-27-23)20(3)25-14-10-8-11-15-25/h5,7,9,12-13,16-17,19H,3-4,6,8,10-11,14-15,18H2,1-2H3/b9-7-,21-5-,24-12+
InChIKeyACYHHTQYARQGFF-FZWNSSRYSA-N
XLogP4.99
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.60
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-[[(2E,3Z)-3-ethylidene-2-[(Z)-hex-2-enylidene]pyrrol-1-yl]methyl]thiophen-3-yl]ethenyl]piperidine?
The IUPAC name of 1-[1-[5-[[(2E,3Z)-3-ethylidene-2-[(Z)-hex-2-enylidene]pyrrol-1-yl]methyl]thiophen-3-yl]ethenyl]piperidine (CID 145324085) is 1-[1-[5-[[(2E,3Z)-3-ethylidene-2-[(Z)-hex-2-enylidene]pyrrol-1-yl]methyl]thiophen-3-yl]ethenyl]piperidine.
What is the SMILES notation for 1-[1-[5-[[(2E,3Z)-3-ethylidene-2-[(Z)-hex-2-enylidene]pyrrol-1-yl]methyl]thiophen-3-yl]ethenyl]piperidine?
The canonical SMILES for 1-[1-[5-[[(2E,3Z)-3-ethylidene-2-[(Z)-hex-2-enylidene]pyrrol-1-yl]methyl]thiophen-3-yl]ethenyl]piperidine is C=C(c1csc(Cn2ccc(=C/C)/c2=C\C=C/CCC)c1)N1CCCCC1.
What is the InChIKey of 1-[1-[5-[[(2E,3Z)-3-ethylidene-2-[(Z)-hex-2-enylidene]pyrrol-1-yl]methyl]thiophen-3-yl]ethenyl]piperidine?
The InChIKey is ACYHHTQYARQGFF-FZWNSSRYSA-N. The full InChI is InChI=1S/C24H32N2S/c1-4-6-7-9-12-24-21(5-2)13-16-26(24)18-23-17-22(19-27-23)20(3)25-14-10-8-11-15-25/h5,7,9,12-13,16-17,19H,3-4,6,8,10-11,14-15,18H2,1-2H3/b9-7-,21-5-,24-12+.
What are the key properties of 1-[1-[5-[[(2E,3Z)-3-ethylidene-2-[(Z)-hex-2-enylidene]pyrrol-1-yl]methyl]thiophen-3-yl]ethenyl]piperidine?
1-[1-[5-[[(2E,3Z)-3-ethylidene-2-[(Z)-hex-2-enylidene]pyrrol-1-yl]methyl]thiophen-3-yl]ethenyl]piperidine has a molecular weight of 380.60 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-[[(2E,3Z)-3-ethylidene-2-[(Z)-hex-2-enylidene]pyrrol-1-yl]methyl]thiophen-3-yl]ethenyl]piperidine is sourced from PubChem (CID 145324085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).