9-ethenylcarbazole;15-[2-hydroxyethyl(methyl)amino]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one;methane;2-[methyl-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)amino]ethyl 4-carbazol-9-yl-2-ethyl-2-methylpentanoate;2-[methyl-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)amino]ethyl 2-methylprop-2-enoate;2-methylprop-2-enoyl chloride

C111H116ClN11O9 — CID 160950208

About 9-ethenylcarbazole;15-[2-hydroxyethyl(methyl)amino]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one;methane;2-[methyl-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)amino]ethyl 4-carbazol-9-yl-2-ethyl-2-methylpentanoate;2-[methyl-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)amino]ethyl 2-methylprop-2-enoate;2-methylprop-2-enoyl chloride

9-ethenylcarbazole;15-[2-hydroxyethyl(methyl)amino]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one;methane;2-[methyl-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)amino]ethyl 4-carbazol-9-yl-2-ethyl-2-methylpentanoate;2-[methyl-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)amino]ethyl 2-methylprop-2-enoate;2-methylprop-2-enoyl chloride (PubChem CID 160950208) has the molecular formula C111H116ClN11O9 and a molecular weight of 1783.67 g/mol. Its IUPAC name is 9-ethenylcarbazole;15-[2-hydroxyethyl(methyl)amino]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one;methane;2-[methyl-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)amino]ethyl 4-carbazol-9-yl-2-ethyl-2-methylpentanoate;2-[methyl-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)amino]ethyl 2-methylprop-2-enoate;2-methylprop-2-enoyl chloride.

Molecular Properties

• Compound Name: 9-ethenylcarbazole;15-[2-hydroxyethyl(methyl)amino]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one;methane;2-[methyl-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)amino]ethyl 4-carbazol-9-yl-2-ethyl-2-methylpentanoate;2-[methyl-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)amino]ethyl 2-methylprop-2-enoate;2-methylprop-2-enoyl chloride
• PubChem CID: 160950208
• Molecular Formula: C111H116ClN11O9
• Molecular Weight: 1783.67 g/mol
• Exact Mass: 1781.86
• IUPAC Name: 9-ethenylcarbazole;15-[2-hydroxyethyl(methyl)amino]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one;methane;2-[methyl-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)amino]ethyl 4-carbazol-9-yl-2-ethyl-2-methylpentanoate;2-[methyl-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)amino]ethyl 2-methylprop-2-enoate;2-methylprop-2-enoyl chloride
• SMILES: C.C.C.C.C.C.C=C(C)C(=O)Cl.C=C(C)C(=O)OCCN(C)c1ccc2c(=O)n3c4ccccc4nc3c3cccc1c23.C=Cn1c2ccccc2c2ccccc21.CCC(C)(CC(C)n1c2ccccc2c2ccccc21)C(=O)OCCN(C)c1ccc2c(=O)n3c4ccccc4nc3c3cccc1c23.CN(CCO)c1ccc2c(=O)n3c4ccccc4nc3c3cccc1c23
• InChI: InChI=1S/C41H38N4O3.C25H21N3O3.C21H17N3O2.C14H11N.C4H5ClO.6CH4/c1-5-41(3,25-26(2)44-34-18-9-6-13-27(34)28-14-7-10-19-35(28)44)40(47)48-24-23-43(4)33-22-21-31-37-29(33)15-12-16-30(37)38-42-32-17-8-11-20-36(32)45(38)39(31)46;1-15(2)25(30)31-14-13-27(3)20-12-11-18-22-16(20)7-6-8-17(22)23-26-19-9-4-5-10-21(19)28(23)24(18)29;1-23(11-12-25)17-10-9-15-19-13(17)5-4-6-14(19)20-22-16-7-2-3-8-18(16)24(20)21(15)26;1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-3(2)4(5)6;;;;;;/h6-22,26H,5,23-25H2,1-4H3;4-12H,1,13-14H2,2-3H3;2-10,25H,11-12H2,1H3;2-10H,1H2;1H2,2H3;6*1H4
• InChIKey: SVQSCSYLJLJZEM-UHFFFAOYSA-N
• XLogP: 24.95
• TPSA: 212.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 19
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1783.67
LogP ≤ 5	24.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-ethenylcarbazole;15-[2-hydroxyethyl(methyl)amino]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one;methane;2-[methyl-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)amino]ethyl 4-carbazol-9-yl-2-ethyl-2-methylpentanoate;2-[methyl-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)amino]ethyl 2-methylprop-2-enoate;2-methylprop-2-enoyl chloride?

The IUPAC name of 9-ethenylcarbazole;15-[2-hydroxyethyl(methyl)amino]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one;methane;2-[methyl-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)amino]ethyl 4-carbazol-9-yl-2-ethyl-2-methylpentanoate;2-[methyl-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)amino]ethyl 2-methylprop-2-enoate;2-methylprop-2-enoyl chloride (CID 160950208) is 9-ethenylcarbazole;15-[2-hydroxyethyl(methyl)amino]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one;methane;2-[methyl-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)amino]ethyl 4-carbazol-9-yl-2-ethyl-2-methylpentanoate;2-[methyl-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)amino]ethyl 2-methylprop-2-enoate;2-methylprop-2-enoyl chloride.

What is the SMILES notation for 9-ethenylcarbazole;15-[2-hydroxyethyl(methyl)amino]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one;methane;2-[methyl-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)amino]ethyl 4-carbazol-9-yl-2-ethyl-2-methylpentanoate;2-[methyl-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)amino]ethyl 2-methylprop-2-enoate;2-methylprop-2-enoyl chloride?

The canonical SMILES for 9-ethenylcarbazole;15-[2-hydroxyethyl(methyl)amino]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one;methane;2-[methyl-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)amino]ethyl 4-carbazol-9-yl-2-ethyl-2-methylpentanoate;2-[methyl-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)amino]ethyl 2-methylprop-2-enoate;2-methylprop-2-enoyl chloride is C.C.C.C.C.C.C=C(C)C(=O)Cl.C=C(C)C(=O)OCCN(C)c1ccc2c(=O)n3c4ccccc4nc3c3cccc1c23.C=Cn1c2ccccc2c2ccccc21.CCC(C)(CC(C)n1c2ccccc2c2ccccc21)C(=O)OCCN(C)c1ccc2c(=O)n3c4ccccc4nc3c3cccc1c23.CN(CCO)c1ccc2c(=O)n3c4ccccc4nc3c3cccc1c23.

What is the InChIKey of 9-ethenylcarbazole;15-[2-hydroxyethyl(methyl)amino]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one;methane;2-[methyl-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)amino]ethyl 4-carbazol-9-yl-2-ethyl-2-methylpentanoate;2-[methyl-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)amino]ethyl 2-methylprop-2-enoate;2-methylprop-2-enoyl chloride?

The InChIKey is SVQSCSYLJLJZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38N4O3.C25H21N3O3.C21H17N3O2.C14H11N.C4H5ClO.6CH4/c1-5-41(3,25-26(2)44-34-18-9-6-13-27(34)28-14-7-10-19-35(28)44)40(47)48-24-23-43(4)33-22-21-31-37-29(33)15-12-16-30(37)38-42-32-17-8-11-20-36(32)45(38)39(31)46;1-15(2)25(30)31-14-13-27(3)20-12-11-18-22-16(20)7-6-8-17(22)23-26-19-9-4-5-10-21(19)28(23)24(18)29;1-23(11-12-25)17-10-9-15-19-13(17)5-4-6-14(19)20-22-16-7-2-3-8-18(16)24(20)21(15)26;1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-3(2)4(5)6;;;;;;/h6-22,26H,5,23-25H2,1-4H3;4-12H,1,13-14H2,2-3H3;2-10,25H,11-12H2,1H3;2-10H,1H2;1H2,2H3;6*1H4.

What are the key properties of 9-ethenylcarbazole;15-[2-hydroxyethyl(methyl)amino]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one;methane;2-[methyl-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)amino]ethyl 4-carbazol-9-yl-2-ethyl-2-methylpentanoate;2-[methyl-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)amino]ethyl 2-methylprop-2-enoate;2-methylprop-2-enoyl chloride?

9-ethenylcarbazole;15-[2-hydroxyethyl(methyl)amino]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one;methane;2-[methyl-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)amino]ethyl 4-carbazol-9-yl-2-ethyl-2-methylpentanoate;2-[methyl-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)amino]ethyl 2-methylprop-2-enoate;2-methylprop-2-enoyl chloride has a molecular weight of 1783.67 g/mol, XLogP of 24.95, 19 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 9-ethenylcarbazole;15-[2-hydroxyethyl(methyl)amino]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one;methane;2-[methyl-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)amino]ethyl 4-carbazol-9-yl-2-ethyl-2-methylpentanoate;2-[methyl-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)amino]ethyl 2-methylprop-2-enoate;2-methylprop-2-enoyl chloride is sourced from PubChem (CID 160950208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).