ethane;furan;1-(furan-2-yl)-N-methylmethanamine;1-(furan-3-yl)-N-methylmethanamine;1H-indole;methane;3-(1-methoxyethenyl)furan;3-(1-methoxyethenyl)-1H-indole;3-(1-methoxyethenyl)-1H-pyrrole;tris(2-methoxyprop-1-ene);methyl acetate;methyl 1-benzothiophene-3-carboxylate;tris(N-methylethanamine);1-methyl-4-prop-1-enylbenzene;methyl pyridine-4-carboxylate;N-methyl-1-pyridin-4-ylmethanamine;N-methyl-1-(1H-pyrrol-3-yl)methanamine;methyl quinoline-4-carboxylate;prop-1-enylbenzene;bis(pyridine);bis(1H-pyrrole);quinoline

C176H251N19O21S — CID 159531756

About ethane;furan;1-(furan-2-yl)-N-methylmethanamine;1-(furan-3-yl)-N-methylmethanamine;1H-indole;methane;3-(1-methoxyethenyl)furan;3-(1-methoxyethenyl)-1H-indole;3-(1-methoxyethenyl)-1H-pyrrole;tris(2-methoxyprop-1-ene);methyl acetate;methyl 1-benzothiophene-3-carboxylate;tris(N-methylethanamine);1-methyl-4-prop-1-enylbenzene;methyl pyridine-4-carboxylate;N-methyl-1-pyridin-4-ylmethanamine;N-methyl-1-(1H-pyrrol-3-yl)methanamine;methyl quinoline-4-carboxylate;prop-1-enylbenzene;bis(pyridine);bis(1H-pyrrole);quinoline

ethane;furan;1-(furan-2-yl)-N-methylmethanamine;1-(furan-3-yl)-N-methylmethanamine;1H-indole;methane;3-(1-methoxyethenyl)furan;3-(1-methoxyethenyl)-1H-indole;3-(1-methoxyethenyl)-1H-pyrrole;tris(2-methoxyprop-1-ene);methyl acetate;methyl 1-benzothiophene-3-carboxylate;tris(N-methylethanamine);1-methyl-4-prop-1-enylbenzene;methyl pyridine-4-carboxylate;N-methyl-1-pyridin-4-ylmethanamine;N-methyl-1-(1H-pyrrol-3-yl)methanamine;methyl quinoline-4-carboxylate;prop-1-enylbenzene;bis(pyridine);bis(1H-pyrrole);quinoline (PubChem CID 159531756) has the molecular formula C176H251N19O21S and a molecular weight of 3001.12 g/mol. Its IUPAC name is ethane;furan;1-(furan-2-yl)-N-methylmethanamine;1-(furan-3-yl)-N-methylmethanamine;1H-indole;methane;3-(1-methoxyethenyl)furan;3-(1-methoxyethenyl)-1H-indole;3-(1-methoxyethenyl)-1H-pyrrole;tris(2-methoxyprop-1-ene);methyl acetate;methyl 1-benzothiophene-3-carboxylate;tris(N-methylethanamine);1-methyl-4-prop-1-enylbenzene;methyl pyridine-4-carboxylate;N-methyl-1-pyridin-4-ylmethanamine;N-methyl-1-(1H-pyrrol-3-yl)methanamine;methyl quinoline-4-carboxylate;prop-1-enylbenzene;bis(pyridine);bis(1H-pyrrole);quinoline.

Molecular Properties

• Compound Name: ethane;furan;1-(furan-2-yl)-N-methylmethanamine;1-(furan-3-yl)-N-methylmethanamine;1H-indole;methane;3-(1-methoxyethenyl)furan;3-(1-methoxyethenyl)-1H-indole;3-(1-methoxyethenyl)-1H-pyrrole;tris(2-methoxyprop-1-ene);methyl acetate;methyl 1-benzothiophene-3-carboxylate;tris(N-methylethanamine);1-methyl-4-prop-1-enylbenzene;methyl pyridine-4-carboxylate;N-methyl-1-pyridin-4-ylmethanamine;N-methyl-1-(1H-pyrrol-3-yl)methanamine;methyl quinoline-4-carboxylate;prop-1-enylbenzene;bis(pyridine);bis(1H-pyrrole);quinoline
• PubChem CID: 159531756
• Molecular Formula: C176H251N19O21S
• Molecular Weight: 3001.12 g/mol
• Exact Mass: 2998.89
• IUPAC Name: ethane;furan;1-(furan-2-yl)-N-methylmethanamine;1-(furan-3-yl)-N-methylmethanamine;1H-indole;methane;3-(1-methoxyethenyl)furan;3-(1-methoxyethenyl)-1H-indole;3-(1-methoxyethenyl)-1H-pyrrole;tris(2-methoxyprop-1-ene);methyl acetate;methyl 1-benzothiophene-3-carboxylate;tris(N-methylethanamine);1-methyl-4-prop-1-enylbenzene;methyl pyridine-4-carboxylate;N-methyl-1-pyridin-4-ylmethanamine;N-methyl-1-(1H-pyrrol-3-yl)methanamine;methyl quinoline-4-carboxylate;prop-1-enylbenzene;bis(pyridine);bis(1H-pyrrole);quinoline
• SMILES: C.C.C.C.C.C.C.C=C(C)OC.C=C(C)OC.C=C(C)OC.C=C(OC)c1c[nH]c2ccccc12.C=C(OC)c1cc[nH]c1.C=C(OC)c1ccoc1.CC.CC=Cc1ccc(C)cc1.CC=Cc1ccccc1.CCNC.CCNC.CCNC.CNCc1cc[nH]c1.CNCc1ccco1.CNCc1ccncc1.CNCc1ccoc1.COC(=O)c1ccnc2ccccc12.COC(=O)c1ccncc1.COC(=O)c1csc2ccccc12.COC(C)=O.COC(C)=O.c1cc[nH]c1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2ncccc2c1.c1ccncc1.c1ccncc1.c1ccoc1.c1ccoc1
• InChI: InChI=1S/C11H9NO2.C11H11NO.C10H8O2S.C10H12.C9H7N.C9H10.C8H7N.C7H10N2.C7H7NO2.C7H9NO.C7H8O2.C6H10N2.2C6H9NO.2C5H5N.2C4H5N.2C4H4O.3C4H8O.3C3H9N.2C3H6O2.C2H6.7CH4/c1-14-11(13)9-6-7-12-10-5-3-2-4-8(9)10;1-8(13-2)10-7-12-11-6-4-3-5-9(10)11;1-12-10(11)8-6-13-9-5-3-2-4-7(8)9;1-3-4-10-7-5-9(2)6-8-10;1-2-6-9-8(4-1)5-3-7-10-9;1-2-6-9-7-4-3-5-8-9;1-2-4-8-7(3-1)5-6-9-8;1-8-6-7-2-4-9-5-3-7;1-10-7(9)6-2-4-8-5-3-6;1-6(9-2)7-3-4-8-5-7;1-6(8-2)7-3-4-9-5-7;2*1-7-4-6-2-3-8-5-6;1-7-5-6-3-2-4-8-6;2*1-2-4-6-5-3-1;4*1-2-4-5-3-1;3*1-4(2)5-3;3*1-3-4-2;2*1-3(4)5-2;1-2;;;;;;;/h2-7H,1H3;3-7,12H,1H2,2H3;2-6H,1H3;3-8H,1-2H3;1-7H;2-8H,1H3;1-6,9H;2-5,8H,6H2,1H3;2-5H,1H3;3-5,8H,1H2,2H3;3-5H,1H2,2H3;2-3,5,7-8H,4H2,1H3;2-3,5,7H,4H2,1H3;2-4,7H,5H2,1H3;2*1-5H;2*1-5H;2*1-4H;3*1H2,2-3H3;3*4H,3H2,1-2H3;2*1-2H3;1-2H3;7*1H4
• InChIKey: MDBVWUDJOLRIFP-UHFFFAOYSA-N
• XLogP: 42.34
• TPSA: 508.87 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 35
• Rotatable Bonds: 25
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3001.12
LogP ≤ 5	42.34
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;furan;1-(furan-2-yl)-N-methylmethanamine;1-(furan-3-yl)-N-methylmethanamine;1H-indole;methane;3-(1-methoxyethenyl)furan;3-(1-methoxyethenyl)-1H-indole;3-(1-methoxyethenyl)-1H-pyrrole;tris(2-methoxyprop-1-ene);methyl acetate;methyl 1-benzothiophene-3-carboxylate;tris(N-methylethanamine);1-methyl-4-prop-1-enylbenzene;methyl pyridine-4-carboxylate;N-methyl-1-pyridin-4-ylmethanamine;N-methyl-1-(1H-pyrrol-3-yl)methanamine;methyl quinoline-4-carboxylate;prop-1-enylbenzene;bis(pyridine);bis(1H-pyrrole);quinoline?

The IUPAC name of ethane;furan;1-(furan-2-yl)-N-methylmethanamine;1-(furan-3-yl)-N-methylmethanamine;1H-indole;methane;3-(1-methoxyethenyl)furan;3-(1-methoxyethenyl)-1H-indole;3-(1-methoxyethenyl)-1H-pyrrole;tris(2-methoxyprop-1-ene);methyl acetate;methyl 1-benzothiophene-3-carboxylate;tris(N-methylethanamine);1-methyl-4-prop-1-enylbenzene;methyl pyridine-4-carboxylate;N-methyl-1-pyridin-4-ylmethanamine;N-methyl-1-(1H-pyrrol-3-yl)methanamine;methyl quinoline-4-carboxylate;prop-1-enylbenzene;bis(pyridine);bis(1H-pyrrole);quinoline (CID 159531756) is ethane;furan;1-(furan-2-yl)-N-methylmethanamine;1-(furan-3-yl)-N-methylmethanamine;1H-indole;methane;3-(1-methoxyethenyl)furan;3-(1-methoxyethenyl)-1H-indole;3-(1-methoxyethenyl)-1H-pyrrole;tris(2-methoxyprop-1-ene);methyl acetate;methyl 1-benzothiophene-3-carboxylate;tris(N-methylethanamine);1-methyl-4-prop-1-enylbenzene;methyl pyridine-4-carboxylate;N-methyl-1-pyridin-4-ylmethanamine;N-methyl-1-(1H-pyrrol-3-yl)methanamine;methyl quinoline-4-carboxylate;prop-1-enylbenzene;bis(pyridine);bis(1H-pyrrole);quinoline.

What is the SMILES notation for ethane;furan;1-(furan-2-yl)-N-methylmethanamine;1-(furan-3-yl)-N-methylmethanamine;1H-indole;methane;3-(1-methoxyethenyl)furan;3-(1-methoxyethenyl)-1H-indole;3-(1-methoxyethenyl)-1H-pyrrole;tris(2-methoxyprop-1-ene);methyl acetate;methyl 1-benzothiophene-3-carboxylate;tris(N-methylethanamine);1-methyl-4-prop-1-enylbenzene;methyl pyridine-4-carboxylate;N-methyl-1-pyridin-4-ylmethanamine;N-methyl-1-(1H-pyrrol-3-yl)methanamine;methyl quinoline-4-carboxylate;prop-1-enylbenzene;bis(pyridine);bis(1H-pyrrole);quinoline?

The canonical SMILES for ethane;furan;1-(furan-2-yl)-N-methylmethanamine;1-(furan-3-yl)-N-methylmethanamine;1H-indole;methane;3-(1-methoxyethenyl)furan;3-(1-methoxyethenyl)-1H-indole;3-(1-methoxyethenyl)-1H-pyrrole;tris(2-methoxyprop-1-ene);methyl acetate;methyl 1-benzothiophene-3-carboxylate;tris(N-methylethanamine);1-methyl-4-prop-1-enylbenzene;methyl pyridine-4-carboxylate;N-methyl-1-pyridin-4-ylmethanamine;N-methyl-1-(1H-pyrrol-3-yl)methanamine;methyl quinoline-4-carboxylate;prop-1-enylbenzene;bis(pyridine);bis(1H-pyrrole);quinoline is C.C.C.C.C.C.C.C=C(C)OC.C=C(C)OC.C=C(C)OC.C=C(OC)c1c[nH]c2ccccc12.C=C(OC)c1cc[nH]c1.C=C(OC)c1ccoc1.CC.CC=Cc1ccc(C)cc1.CC=Cc1ccccc1.CCNC.CCNC.CCNC.CNCc1cc[nH]c1.CNCc1ccco1.CNCc1ccncc1.CNCc1ccoc1.COC(=O)c1ccnc2ccccc12.COC(=O)c1ccncc1.COC(=O)c1csc2ccccc12.COC(C)=O.COC(C)=O.c1cc[nH]c1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2ncccc2c1.c1ccncc1.c1ccncc1.c1ccoc1.c1ccoc1.

What is the InChIKey of ethane;furan;1-(furan-2-yl)-N-methylmethanamine;1-(furan-3-yl)-N-methylmethanamine;1H-indole;methane;3-(1-methoxyethenyl)furan;3-(1-methoxyethenyl)-1H-indole;3-(1-methoxyethenyl)-1H-pyrrole;tris(2-methoxyprop-1-ene);methyl acetate;methyl 1-benzothiophene-3-carboxylate;tris(N-methylethanamine);1-methyl-4-prop-1-enylbenzene;methyl pyridine-4-carboxylate;N-methyl-1-pyridin-4-ylmethanamine;N-methyl-1-(1H-pyrrol-3-yl)methanamine;methyl quinoline-4-carboxylate;prop-1-enylbenzene;bis(pyridine);bis(1H-pyrrole);quinoline?

The InChIKey is MDBVWUDJOLRIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2.C11H11NO.C10H8O2S.C10H12.C9H7N.C9H10.C8H7N.C7H10N2.C7H7NO2.C7H9NO.C7H8O2.C6H10N2.2C6H9NO.2C5H5N.2C4H5N.2C4H4O.3C4H8O.3C3H9N.2C3H6O2.C2H6.7CH4/c1-14-11(13)9-6-7-12-10-5-3-2-4-8(9)10;1-8(13-2)10-7-12-11-6-4-3-5-9(10)11;1-12-10(11)8-6-13-9-5-3-2-4-7(8)9;1-3-4-10-7-5-9(2)6-8-10;1-2-6-9-8(4-1)5-3-7-10-9;1-2-6-9-7-4-3-5-8-9;1-2-4-8-7(3-1)5-6-9-8;1-8-6-7-2-4-9-5-3-7;1-10-7(9)6-2-4-8-5-3-6;1-6(9-2)7-3-4-8-5-7;1-6(8-2)7-3-4-9-5-7;2*1-7-4-6-2-3-8-5-6;1-7-5-6-3-2-4-8-6;2*1-2-4-6-5-3-1;4*1-2-4-5-3-1;3*1-4(2)5-3;3*1-3-4-2;2*1-3(4)5-2;1-2;;;;;;;/h2-7H,1H3;3-7,12H,1H2,2H3;2-6H,1H3;3-8H,1-2H3;1-7H;2-8H,1H3;1-6,9H;2-5,8H,6H2,1H3;2-5H,1H3;3-5,8H,1H2,2H3;3-5H,1H2,2H3;2-3,5,7-8H,4H2,1H3;2-3,5,7H,4H2,1H3;2-4,7H,5H2,1H3;2*1-5H;2*1-5H;2*1-4H;3*1H2,2-3H3;3*4H,3H2,1-2H3;2*1-2H3;1-2H3;7*1H4.

What are the key properties of ethane;furan;1-(furan-2-yl)-N-methylmethanamine;1-(furan-3-yl)-N-methylmethanamine;1H-indole;methane;3-(1-methoxyethenyl)furan;3-(1-methoxyethenyl)-1H-indole;3-(1-methoxyethenyl)-1H-pyrrole;tris(2-methoxyprop-1-ene);methyl acetate;methyl 1-benzothiophene-3-carboxylate;tris(N-methylethanamine);1-methyl-4-prop-1-enylbenzene;methyl pyridine-4-carboxylate;N-methyl-1-pyridin-4-ylmethanamine;N-methyl-1-(1H-pyrrol-3-yl)methanamine;methyl quinoline-4-carboxylate;prop-1-enylbenzene;bis(pyridine);bis(1H-pyrrole);quinoline?

ethane;furan;1-(furan-2-yl)-N-methylmethanamine;1-(furan-3-yl)-N-methylmethanamine;1H-indole;methane;3-(1-methoxyethenyl)furan;3-(1-methoxyethenyl)-1H-indole;3-(1-methoxyethenyl)-1H-pyrrole;tris(2-methoxyprop-1-ene);methyl acetate;methyl 1-benzothiophene-3-carboxylate;tris(N-methylethanamine);1-methyl-4-prop-1-enylbenzene;methyl pyridine-4-carboxylate;N-methyl-1-pyridin-4-ylmethanamine;N-methyl-1-(1H-pyrrol-3-yl)methanamine;methyl quinoline-4-carboxylate;prop-1-enylbenzene;bis(pyridine);bis(1H-pyrrole);quinoline has a molecular weight of 3001.12 g/mol, XLogP of 42.34, 25 rotatable bonds, 13 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;furan;1-(furan-2-yl)-N-methylmethanamine;1-(furan-3-yl)-N-methylmethanamine;1H-indole;methane;3-(1-methoxyethenyl)furan;3-(1-methoxyethenyl)-1H-indole;3-(1-methoxyethenyl)-1H-pyrrole;tris(2-methoxyprop-1-ene);methyl acetate;methyl 1-benzothiophene-3-carboxylate;tris(N-methylethanamine);1-methyl-4-prop-1-enylbenzene;methyl pyridine-4-carboxylate;N-methyl-1-pyridin-4-ylmethanamine;N-methyl-1-(1H-pyrrol-3-yl)methanamine;methyl quinoline-4-carboxylate;prop-1-enylbenzene;bis(pyridine);bis(1H-pyrrole);quinoline is sourced from PubChem (CID 159531756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).