9-ethyl-3-(2-nitroethenyl)carbazole

C16H13N2O2- — CID 134120826

IUPAC9-ethyl-3-(2-nitroethenyl)carbazole
SMILESCCn1c2ccccc2c2cc(/C=[C-]/[N+](=O)[O-])ccc21
InChIInChI=1S/C16H13N2O2/c1-2-17-15-6-4-3-5-13(15)14-11-12(7-8-16(14)17)9-10-18(19)20/h3-9,11H,2H2,1H3/q-1
InChIKeyAOYLODVZAPGOQB-UHFFFAOYSA-N
MW265.29 g/mol
LogP3.86
Rot. Bonds3

About 9-ethyl-3-(2-nitroethenyl)carbazole

9-ethyl-3-(2-nitroethenyl)carbazole (PubChem CID 134120826) has the molecular formula C16H13N2O2- and a molecular weight of 265.29 g/mol. Its IUPAC name is 9-ethyl-3-(2-nitroethenyl)carbazole.

Molecular Properties

Compound Name9-ethyl-3-(2-nitroethenyl)carbazole
PubChem CID134120826
Molecular FormulaC16H13N2O2-
Molecular Weight265.29 g/mol
Exact Mass265.10
IUPAC Name9-ethyl-3-(2-nitroethenyl)carbazole
SMILESCCn1c2ccccc2c2cc(/C=[C-]/[N+](=O)[O-])ccc21
InChIInChI=1S/C16H13N2O2/c1-2-17-15-6-4-3-5-13(15)14-11-12(7-8-16(14)17)9-10-18(19)20/h3-9,11H,2H2,1H3/q-1
InChIKeyAOYLODVZAPGOQB-UHFFFAOYSA-N
XLogP3.86
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-bromoprop-1-enyl)-9-ethylcarbazole
CID 79324160
9-ethyl-3-[2-[4-(2-pyridin-4-ylethenyl)phenyl]ethenyl]carbazole
CID 71403116
1-(9-ethylcarbazol-3-yl)-N-hydroxyprop-1-en-2-amine oxide
CID 163181667
3-(9-ethylcarbazol-3-yl)-2-fluoroprop-2-enoic acid
CID 79736980
9-ethyl-3-(4-nitrophenyl)sulfonylcarbazole
CID 134312293
(E)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide
CID 55394225
9-ethyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]carbazole iodide
CID 171700207
2-[(9-ethylcarbazol-3-yl)methylidene]butan-1-amine
CID 79322615
9-ethyl-3-[(E)-2-thiophen-2-ylethenyl]carbazole
CID 139207175
9-ethylcarbazole-3-carboxylate
CID 7148416
9-ethyl-3-(9-ethylcarbazol-3-yl)-4-nitrocarbazole
CID 139069281
3-[4-(9-ethylcarbazol-3-yl)phenyl]prop-2-enal
CID 173162246

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-(2-nitroethenyl)carbazole?
The IUPAC name of 9-ethyl-3-(2-nitroethenyl)carbazole (CID 134120826) is 9-ethyl-3-(2-nitroethenyl)carbazole.
What is the SMILES notation for 9-ethyl-3-(2-nitroethenyl)carbazole?
The canonical SMILES for 9-ethyl-3-(2-nitroethenyl)carbazole is CCn1c2ccccc2c2cc(/C=[C-]/[N+](=O)[O-])ccc21.
What is the InChIKey of 9-ethyl-3-(2-nitroethenyl)carbazole?
The InChIKey is AOYLODVZAPGOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N2O2/c1-2-17-15-6-4-3-5-13(15)14-11-12(7-8-16(14)17)9-10-18(19)20/h3-9,11H,2H2,1H3/q-1.
What are the key properties of 9-ethyl-3-(2-nitroethenyl)carbazole?
9-ethyl-3-(2-nitroethenyl)carbazole has a molecular weight of 265.29 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-(2-nitroethenyl)carbazole is sourced from PubChem (CID 134120826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).