1-(9-ethylcarbazol-3-yl)-N-(2-methyl-3-nitrophenyl)methanimine

C22H19N3O2 — CID 1272180

IUPAC1-(9-ethylcarbazol-3-yl)-N-(2-methyl-3-nitrophenyl)methanimine
SMILESCCn1c2ccccc2c2cc(/C=N/c3cccc([N+](=O)[O-])c3C)ccc21
InChIInChI=1S/C22H19N3O2/c1-3-24-21-9-5-4-7-17(21)18-13-16(11-12-22(18)24)14-23-19-8-6-10-20(15(19)2)25(26)27/h4-14H,3H2,1-2H3/b23-14+
InChIKeyCQDZGECNNHWHPI-OEAKJJBVSA-N
MW357.41 g/mol
LogP5.78
Rot. Bonds4

About 1-(9-ethylcarbazol-3-yl)-N-(2-methyl-3-nitrophenyl)methanimine

1-(9-ethylcarbazol-3-yl)-N-(2-methyl-3-nitrophenyl)methanimine (PubChem CID 1272180) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-(9-ethylcarbazol-3-yl)-N-(2-methyl-3-nitrophenyl)methanimine.

Molecular Properties

Compound Name1-(9-ethylcarbazol-3-yl)-N-(2-methyl-3-nitrophenyl)methanimine
PubChem CID1272180
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name1-(9-ethylcarbazol-3-yl)-N-(2-methyl-3-nitrophenyl)methanimine
SMILESCCn1c2ccccc2c2cc(/C=N/c3cccc([N+](=O)[O-])c3C)ccc21
InChIInChI=1S/C22H19N3O2/c1-3-24-21-9-5-4-7-17(21)18-13-16(11-12-22(18)24)14-23-19-8-6-10-20(15(19)2)25(26)27/h4-14H,3H2,1-2H3/b23-14+
InChIKeyCQDZGECNNHWHPI-OEAKJJBVSA-N
XLogP5.78
TPSA60.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.41
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(9-ethylcarbazol-3-yl)-N-(2-methyl-3-nitrophenyl)methanimine?
The IUPAC name of 1-(9-ethylcarbazol-3-yl)-N-(2-methyl-3-nitrophenyl)methanimine (CID 1272180) is 1-(9-ethylcarbazol-3-yl)-N-(2-methyl-3-nitrophenyl)methanimine.
What is the SMILES notation for 1-(9-ethylcarbazol-3-yl)-N-(2-methyl-3-nitrophenyl)methanimine?
The canonical SMILES for 1-(9-ethylcarbazol-3-yl)-N-(2-methyl-3-nitrophenyl)methanimine is CCn1c2ccccc2c2cc(/C=N/c3cccc([N+](=O)[O-])c3C)ccc21.
What is the InChIKey of 1-(9-ethylcarbazol-3-yl)-N-(2-methyl-3-nitrophenyl)methanimine?
The InChIKey is CQDZGECNNHWHPI-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-3-24-21-9-5-4-7-17(21)18-13-16(11-12-22(18)24)14-23-19-8-6-10-20(15(19)2)25(26)27/h4-14H,3H2,1-2H3/b23-14+.
What are the key properties of 1-(9-ethylcarbazol-3-yl)-N-(2-methyl-3-nitrophenyl)methanimine?
1-(9-ethylcarbazol-3-yl)-N-(2-methyl-3-nitrophenyl)methanimine has a molecular weight of 357.41 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-ethylcarbazol-3-yl)-N-(2-methyl-3-nitrophenyl)methanimine is sourced from PubChem (CID 1272180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).