ethyl 3-[5-[(Z)-2-cyanoprop-1-enyl]thiophen-2-yl]indolizine-2-carboxylate;(Z)-3-[5-(1-hexyl-7-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-3-[5-(1-hexyl-2-phenylindolizin-3-yl)thiophen-2-yl]-2-methylprop-2-enenitrile;methane;(Z)-3-[5-[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-2-methyl-3-[5-(1-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]prop-2-enenitrile

C124H116N10O3S5 — CID 157116289

About ethyl 3-[5-[(Z)-2-cyanoprop-1-enyl]thiophen-2-yl]indolizine-2-carboxylate;(Z)-3-[5-(1-hexyl-7-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-3-[5-(1-hexyl-2-phenylindolizin-3-yl)thiophen-2-yl]-2-methylprop-2-enenitrile;methane;(Z)-3-[5-[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-2-methyl-3-[5-(1-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]prop-2-enenitrile

ethyl 3-[5-[(Z)-2-cyanoprop-1-enyl]thiophen-2-yl]indolizine-2-carboxylate;(Z)-3-[5-(1-hexyl-7-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-3-[5-(1-hexyl-2-phenylindolizin-3-yl)thiophen-2-yl]-2-methylprop-2-enenitrile;methane;(Z)-3-[5-[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-2-methyl-3-[5-(1-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]prop-2-enenitrile (PubChem CID 157116289) has the molecular formula C124H116N10O3S5 and a molecular weight of 1954.69 g/mol. Its IUPAC name is ethyl 3-[5-[(Z)-2-cyanoprop-1-enyl]thiophen-2-yl]indolizine-2-carboxylate;(Z)-3-[5-(1-hexyl-7-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-3-[5-(1-hexyl-2-phenylindolizin-3-yl)thiophen-2-yl]-2-methylprop-2-enenitrile;methane;(Z)-3-[5-[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-2-methyl-3-[5-(1-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]prop-2-enenitrile.

Molecular Properties

• Compound Name: ethyl 3-[5-[(Z)-2-cyanoprop-1-enyl]thiophen-2-yl]indolizine-2-carboxylate;(Z)-3-[5-(1-hexyl-7-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-3-[5-(1-hexyl-2-phenylindolizin-3-yl)thiophen-2-yl]-2-methylprop-2-enenitrile;methane;(Z)-3-[5-[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-2-methyl-3-[5-(1-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]prop-2-enenitrile
• PubChem CID: 157116289
• Molecular Formula: C124H116N10O3S5
• Molecular Weight: 1954.69 g/mol
• Exact Mass: 1952.78
• IUPAC Name: ethyl 3-[5-[(Z)-2-cyanoprop-1-enyl]thiophen-2-yl]indolizine-2-carboxylate;(Z)-3-[5-(1-hexyl-7-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-3-[5-(1-hexyl-2-phenylindolizin-3-yl)thiophen-2-yl]-2-methylprop-2-enenitrile;methane;(Z)-3-[5-[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-2-methyl-3-[5-(1-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]prop-2-enenitrile
• SMILES: C.C/C(C#N)=C/c1ccc(-c2c(-c3ccccc3)c(C)c3ccccn23)s1.CCCCCCc1c(-c2ccccc2)c(-c2ccc(/C=C(/C)C#N)s2)n2ccc(C)cc12.CCCCCCc1c(-c2ccccc2)c(-c2ccc(/C=C(/C)C#N)s2)n2ccccc12.CCOC(=O)c1cc2ccccn2c1-c1ccc(/C=C(/C)C#N)s1.COc1ccc(-c2c(C)c3ccccn3c2-c2ccc(/C=C(/C)C#N)s2)cc1
• InChI: InChI=1S/C29H30N2S.C28H28N2S.C24H20N2OS.C23H18N2S.C19H16N2O2S.CH4/c1-4-5-6-10-13-25-26-19-21(2)16-17-31(26)29(28(25)23-11-8-7-9-12-23)27-15-14-24(32-27)18-22(3)20-30;1-3-4-5-9-14-24-25-15-10-11-18-30(25)28(27(24)22-12-7-6-8-13-22)26-17-16-23(31-26)19-21(2)20-29;1-16(15-25)14-20-11-12-22(28-20)24-23(18-7-9-19(27-3)10-8-18)17(2)21-6-4-5-13-26(21)24;1-16(15-24)14-19-11-12-21(26-19)23-22(18-8-4-3-5-9-18)17(2)20-10-6-7-13-25(20)23;1-3-23-19(22)16-11-14-6-4-5-9-21(14)18(16)17-8-7-15(24-17)10-13(2)12-20;/h7-9,11-12,14-19H,4-6,10,13H2,1-3H3;6-8,10-13,15-19H,3-5,9,14H2,1-2H3;4-14H,1-3H3;3-14H,1-2H3;4-11H,3H2,1-2H3;1H4/b22-18-;21-19-;2*16-14-;13-10-
• InChIKey: AHLCPSCOPOTNIG-ALBDRSEUSA-N
• XLogP: 35.63
• TPSA: 176.53 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 27
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1954.69
LogP ≤ 5	35.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[5-[(Z)-2-cyanoprop-1-enyl]thiophen-2-yl]indolizine-2-carboxylate;(Z)-3-[5-(1-hexyl-7-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-3-[5-(1-hexyl-2-phenylindolizin-3-yl)thiophen-2-yl]-2-methylprop-2-enenitrile;methane;(Z)-3-[5-[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-2-methyl-3-[5-(1-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]prop-2-enenitrile?

The IUPAC name of ethyl 3-[5-[(Z)-2-cyanoprop-1-enyl]thiophen-2-yl]indolizine-2-carboxylate;(Z)-3-[5-(1-hexyl-7-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-3-[5-(1-hexyl-2-phenylindolizin-3-yl)thiophen-2-yl]-2-methylprop-2-enenitrile;methane;(Z)-3-[5-[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-2-methyl-3-[5-(1-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]prop-2-enenitrile (CID 157116289) is ethyl 3-[5-[(Z)-2-cyanoprop-1-enyl]thiophen-2-yl]indolizine-2-carboxylate;(Z)-3-[5-(1-hexyl-7-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-3-[5-(1-hexyl-2-phenylindolizin-3-yl)thiophen-2-yl]-2-methylprop-2-enenitrile;methane;(Z)-3-[5-[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-2-methyl-3-[5-(1-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]prop-2-enenitrile.

What is the SMILES notation for ethyl 3-[5-[(Z)-2-cyanoprop-1-enyl]thiophen-2-yl]indolizine-2-carboxylate;(Z)-3-[5-(1-hexyl-7-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-3-[5-(1-hexyl-2-phenylindolizin-3-yl)thiophen-2-yl]-2-methylprop-2-enenitrile;methane;(Z)-3-[5-[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-2-methyl-3-[5-(1-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]prop-2-enenitrile?

The canonical SMILES for ethyl 3-[5-[(Z)-2-cyanoprop-1-enyl]thiophen-2-yl]indolizine-2-carboxylate;(Z)-3-[5-(1-hexyl-7-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-3-[5-(1-hexyl-2-phenylindolizin-3-yl)thiophen-2-yl]-2-methylprop-2-enenitrile;methane;(Z)-3-[5-[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-2-methyl-3-[5-(1-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]prop-2-enenitrile is C.C/C(C#N)=C/c1ccc(-c2c(-c3ccccc3)c(C)c3ccccn23)s1.CCCCCCc1c(-c2ccccc2)c(-c2ccc(/C=C(/C)C#N)s2)n2ccc(C)cc12.CCCCCCc1c(-c2ccccc2)c(-c2ccc(/C=C(/C)C#N)s2)n2ccccc12.CCOC(=O)c1cc2ccccn2c1-c1ccc(/C=C(/C)C#N)s1.COc1ccc(-c2c(C)c3ccccn3c2-c2ccc(/C=C(/C)C#N)s2)cc1.

What is the InChIKey of ethyl 3-[5-[(Z)-2-cyanoprop-1-enyl]thiophen-2-yl]indolizine-2-carboxylate;(Z)-3-[5-(1-hexyl-7-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-3-[5-(1-hexyl-2-phenylindolizin-3-yl)thiophen-2-yl]-2-methylprop-2-enenitrile;methane;(Z)-3-[5-[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-2-methyl-3-[5-(1-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]prop-2-enenitrile?

The InChIKey is AHLCPSCOPOTNIG-ALBDRSEUSA-N. The full InChI is InChI=1S/C29H30N2S.C28H28N2S.C24H20N2OS.C23H18N2S.C19H16N2O2S.CH4/c1-4-5-6-10-13-25-26-19-21(2)16-17-31(26)29(28(25)23-11-8-7-9-12-23)27-15-14-24(32-27)18-22(3)20-30;1-3-4-5-9-14-24-25-15-10-11-18-30(25)28(27(24)22-12-7-6-8-13-22)26-17-16-23(31-26)19-21(2)20-29;1-16(15-25)14-20-11-12-22(28-20)24-23(18-7-9-19(27-3)10-8-18)17(2)21-6-4-5-13-26(21)24;1-16(15-24)14-19-11-12-21(26-19)23-22(18-8-4-3-5-9-18)17(2)20-10-6-7-13-25(20)23;1-3-23-19(22)16-11-14-6-4-5-9-21(14)18(16)17-8-7-15(24-17)10-13(2)12-20;/h7-9,11-12,14-19H,4-6,10,13H2,1-3H3;6-8,10-13,15-19H,3-5,9,14H2,1-2H3;4-14H,1-3H3;3-14H,1-2H3;4-11H,3H2,1-2H3;1H4/b22-18-;21-19-;2*16-14-;13-10-;.

What are the key properties of ethyl 3-[5-[(Z)-2-cyanoprop-1-enyl]thiophen-2-yl]indolizine-2-carboxylate;(Z)-3-[5-(1-hexyl-7-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-3-[5-(1-hexyl-2-phenylindolizin-3-yl)thiophen-2-yl]-2-methylprop-2-enenitrile;methane;(Z)-3-[5-[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-2-methyl-3-[5-(1-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]prop-2-enenitrile?

ethyl 3-[5-[(Z)-2-cyanoprop-1-enyl]thiophen-2-yl]indolizine-2-carboxylate;(Z)-3-[5-(1-hexyl-7-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-3-[5-(1-hexyl-2-phenylindolizin-3-yl)thiophen-2-yl]-2-methylprop-2-enenitrile;methane;(Z)-3-[5-[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-2-methyl-3-[5-(1-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]prop-2-enenitrile has a molecular weight of 1954.69 g/mol, XLogP of 35.63, 27 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-[5-[(Z)-2-cyanoprop-1-enyl]thiophen-2-yl]indolizine-2-carboxylate;(Z)-3-[5-(1-hexyl-7-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-3-[5-(1-hexyl-2-phenylindolizin-3-yl)thiophen-2-yl]-2-methylprop-2-enenitrile;methane;(Z)-3-[5-[2-(4-methoxyphenyl)-1-methylindolizin-3-yl]thiophen-2-yl]-2-methylprop-2-enenitrile;(Z)-2-methyl-3-[5-(1-methyl-2-phenylindolizin-3-yl)thiophen-2-yl]prop-2-enenitrile is sourced from PubChem (CID 157116289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).