tris(carbon dioxide);N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)acetamide;N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-1-(4-nitrophenyl)methanimine;bis(N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)acetamide)

C62H65N5O11 — CID 163686411

About tris(carbon dioxide);N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)acetamide;N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-1-(4-nitrophenyl)methanimine;bis(N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)acetamide)

tris(carbon dioxide);N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)acetamide;N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-1-(4-nitrophenyl)methanimine;bis(N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)acetamide) (PubChem CID 163686411) has the molecular formula C62H65N5O11 and a molecular weight of 1056.23 g/mol. Its IUPAC name is tris(carbon dioxide);N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)acetamide;N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-1-(4-nitrophenyl)methanimine;bis(N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)acetamide).

Molecular Properties

• Compound Name: tris(carbon dioxide);N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)acetamide;N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-1-(4-nitrophenyl)methanimine;bis(N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)acetamide)
• PubChem CID: 163686411
• Molecular Formula: C62H65N5O11
• Molecular Weight: 1056.23 g/mol
• Exact Mass: 1055.47
• IUPAC Name: tris(carbon dioxide);N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)acetamide;N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-1-(4-nitrophenyl)methanimine;bis(N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)acetamide)
• SMILES: CC(=O)NC12CCC(C1)c1ccccc12.CC(=O)NC12CCC(C1)c1ccccc12.CC(=O)NC12CCC(c3ccccc31)C2C.CC1C2CCC1(/N=C/c1ccc([N+](=O)[O-])cc1)c1ccccc12.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/C19H18N2O2.C14H17NO.2C13H15NO.3CO2/c1-13-16-10-11-19(13,18-5-3-2-4-17(16)18)20-12-14-6-8-15(9-7-14)21(22)23;1-9-11-7-8-14(9,15-10(2)16)13-6-4-3-5-12(11)13;2*1-9(15)14-13-7-6-10(8-13)11-4-2-3-5-12(11)13;3*2-1-3/h2-9,12-13,16H,10-11H2,1H3;3-6,9,11H,7-8H2,1-2H3,(H,15,16);2*2-5,10H,6-8H2,1H3,(H,14,15);;;/b20-12+
• InChIKey: JPGILHIYPRGKFA-HUEXRHTMSA-N
• XLogP: 9.83
• TPSA: 245.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1056.23
LogP ≤ 5	9.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tris(carbon dioxide);N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)acetamide;N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-1-(4-nitrophenyl)methanimine;bis(N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)acetamide)?

The IUPAC name of tris(carbon dioxide);N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)acetamide;N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-1-(4-nitrophenyl)methanimine;bis(N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)acetamide) (CID 163686411) is tris(carbon dioxide);N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)acetamide;N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-1-(4-nitrophenyl)methanimine;bis(N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)acetamide).

What is the SMILES notation for tris(carbon dioxide);N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)acetamide;N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-1-(4-nitrophenyl)methanimine;bis(N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)acetamide)?

The canonical SMILES for tris(carbon dioxide);N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)acetamide;N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-1-(4-nitrophenyl)methanimine;bis(N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)acetamide) is CC(=O)NC12CCC(C1)c1ccccc12.CC(=O)NC12CCC(C1)c1ccccc12.CC(=O)NC12CCC(c3ccccc31)C2C.CC1C2CCC1(/N=C/c1ccc([N+](=O)[O-])cc1)c1ccccc12.O=C=O.O=C=O.O=C=O.

What is the InChIKey of tris(carbon dioxide);N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)acetamide;N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-1-(4-nitrophenyl)methanimine;bis(N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)acetamide)?

The InChIKey is JPGILHIYPRGKFA-HUEXRHTMSA-N. The full InChI is InChI=1S/C19H18N2O2.C14H17NO.2C13H15NO.3CO2/c1-13-16-10-11-19(13,18-5-3-2-4-17(16)18)20-12-14-6-8-15(9-7-14)21(22)23;1-9-11-7-8-14(9,15-10(2)16)13-6-4-3-5-12(11)13;2*1-9(15)14-13-7-6-10(8-13)11-4-2-3-5-12(11)13;3*2-1-3/h2-9,12-13,16H,10-11H2,1H3;3-6,9,11H,7-8H2,1-2H3,(H,15,16);2*2-5,10H,6-8H2,1H3,(H,14,15);;;/b20-12+;;;;;;.

What are the key properties of tris(carbon dioxide);N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)acetamide;N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-1-(4-nitrophenyl)methanimine;bis(N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)acetamide)?

tris(carbon dioxide);N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)acetamide;N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-1-(4-nitrophenyl)methanimine;bis(N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)acetamide) has a molecular weight of 1056.23 g/mol, XLogP of 9.83, 6 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tris(carbon dioxide);N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)acetamide;N-(11-methyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-1-(4-nitrophenyl)methanimine;bis(N-(1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)acetamide) is sourced from PubChem (CID 163686411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).