(3Z)-5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one;methane;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one;(3Z)-5-[1-(sulfonylamino)ethyl]-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one;(3Z)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one

C69H76BrN9O6S — CID 158206344

About (3Z)-5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one;methane;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one;(3Z)-5-[1-(sulfonylamino)ethyl]-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one;(3Z)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one

(3Z)-5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one;methane;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one;(3Z)-5-[1-(sulfonylamino)ethyl]-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one;(3Z)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one (PubChem CID 158206344) has the molecular formula C69H76BrN9O6S and a molecular weight of 1239.39 g/mol. Its IUPAC name is (3Z)-5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one;methane;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one;(3Z)-5-[1-(sulfonylamino)ethyl]-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one;(3Z)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one.

Molecular Properties

• Compound Name: (3Z)-5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one;methane;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one;(3Z)-5-[1-(sulfonylamino)ethyl]-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one;(3Z)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
• PubChem CID: 158206344
• Molecular Formula: C69H76BrN9O6S
• Molecular Weight: 1239.39 g/mol
• Exact Mass: 1237.48
• IUPAC Name: (3Z)-5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one;methane;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one;(3Z)-5-[1-(sulfonylamino)ethyl]-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one;(3Z)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
• SMILES: C.C.C.C.CC(N=S(=O)=O)c1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCCC3)C(=O)N2.Cc1[nH]c(/C=C2\C(=O)Nc3ccccc32)c(C)c1C.O=C1Nc2ccc(Br)cc2/C1=C/c1cc2c([nH]1)CCCC2.O=C1Nc2ccccc2/C1=C/c1ccc[nH]1
• InChI: InChI=1S/C19H19N3O3S.C17H15BrN2O.C16H16N2O.C13H10N2O.4CH4/c1-11(22-26(24)25)12-6-7-18-15(9-12)16(19(23)21-18)10-14-8-13-4-2-3-5-17(13)20-14;18-11-5-6-16-13(8-11)14(17(21)20-16)9-12-7-10-3-1-2-4-15(10)19-12;1-9-10(2)15(17-11(9)3)8-13-12-6-4-5-7-14(12)18-16(13)19;16-13-11(8-9-4-3-7-14-9)10-5-1-2-6-12(10)15-13;;;;/h6-11,20H,2-5H2,1H3,(H,21,23);5-9,19H,1-4H2,(H,20,21);4-8,17H,1-3H3,(H,18,19);1-8,14H,(H,15,16);4*1H4/b16-10-;14-9-;13-8-;11-8-
• InChIKey: GBNRPWJNLDUZON-UAPWQPFVSA-N
• XLogP: 16.14
• TPSA: 226.06 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1239.39
LogP ≤ 5	16.14
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one;methane;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one;(3Z)-5-[1-(sulfonylamino)ethyl]-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one;(3Z)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?

The IUPAC name of (3Z)-5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one;methane;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one;(3Z)-5-[1-(sulfonylamino)ethyl]-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one;(3Z)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one (CID 158206344) is (3Z)-5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one;methane;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one;(3Z)-5-[1-(sulfonylamino)ethyl]-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one;(3Z)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one.

What is the SMILES notation for (3Z)-5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one;methane;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one;(3Z)-5-[1-(sulfonylamino)ethyl]-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one;(3Z)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?

The canonical SMILES for (3Z)-5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one;methane;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one;(3Z)-5-[1-(sulfonylamino)ethyl]-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one;(3Z)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one is C.C.C.C.CC(N=S(=O)=O)c1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCCC3)C(=O)N2.Cc1[nH]c(/C=C2\C(=O)Nc3ccccc32)c(C)c1C.O=C1Nc2ccc(Br)cc2/C1=C/c1cc2c([nH]1)CCCC2.O=C1Nc2ccccc2/C1=C/c1ccc[nH]1.

What is the InChIKey of (3Z)-5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one;methane;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one;(3Z)-5-[1-(sulfonylamino)ethyl]-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one;(3Z)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?

The InChIKey is GBNRPWJNLDUZON-UAPWQPFVSA-N. The full InChI is InChI=1S/C19H19N3O3S.C17H15BrN2O.C16H16N2O.C13H10N2O.4CH4/c1-11(22-26(24)25)12-6-7-18-15(9-12)16(19(23)21-18)10-14-8-13-4-2-3-5-17(13)20-14;18-11-5-6-16-13(8-11)14(17(21)20-16)9-12-7-10-3-1-2-4-15(10)19-12;1-9-10(2)15(17-11(9)3)8-13-12-6-4-5-7-14(12)18-16(13)19;16-13-11(8-9-4-3-7-14-9)10-5-1-2-6-12(10)15-13;;;;/h6-11,20H,2-5H2,1H3,(H,21,23);5-9,19H,1-4H2,(H,20,21);4-8,17H,1-3H3,(H,18,19);1-8,14H,(H,15,16);4*1H4/b16-10-;14-9-;13-8-;11-8-;;;;.

What are the key properties of (3Z)-5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one;methane;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one;(3Z)-5-[1-(sulfonylamino)ethyl]-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one;(3Z)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?

(3Z)-5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one;methane;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one;(3Z)-5-[1-(sulfonylamino)ethyl]-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one;(3Z)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one has a molecular weight of 1239.39 g/mol, XLogP of 16.14, 6 rotatable bonds, 8 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3Z)-5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one;methane;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one;(3Z)-5-[1-(sulfonylamino)ethyl]-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one;(3Z)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 158206344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).