9-benzyl-7-nitro-2,3-dihydro-1H-carbazol-4-one

C19H16N2O3 — CID 135017217

IUPAC9-benzyl-7-nitro-2,3-dihydro-1H-carbazol-4-one
SMILESO=C1CCCc2c1c1ccc([N+](=O)[O-])cc1n2Cc1ccccc1
InChIInChI=1S/C19H16N2O3/c22-18-8-4-7-16-19(18)15-10-9-14(21(23)24)11-17(15)20(16)12-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8,12H2
InChIKeyZNXSMBIVDMXYMZ-UHFFFAOYSA-N
MW320.35 g/mol
LogP4.12
Rot. Bonds3

About 9-benzyl-7-nitro-2,3-dihydro-1H-carbazol-4-one

9-benzyl-7-nitro-2,3-dihydro-1H-carbazol-4-one (PubChem CID 135017217) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 9-benzyl-7-nitro-2,3-dihydro-1H-carbazol-4-one.

Molecular Properties

Compound Name9-benzyl-7-nitro-2,3-dihydro-1H-carbazol-4-one
PubChem CID135017217
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name9-benzyl-7-nitro-2,3-dihydro-1H-carbazol-4-one
SMILESO=C1CCCc2c1c1ccc([N+](=O)[O-])cc1n2Cc1ccccc1
InChIInChI=1S/C19H16N2O3/c22-18-8-4-7-16-19(18)15-10-9-14(21(23)24)11-17(15)20(16)12-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8,12H2
InChIKeyZNXSMBIVDMXYMZ-UHFFFAOYSA-N
XLogP4.12
TPSA65.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 9-benzyl-7-nitro-2,3-dihydro-1H-carbazol-4-one?
The IUPAC name of 9-benzyl-7-nitro-2,3-dihydro-1H-carbazol-4-one (CID 135017217) is 9-benzyl-7-nitro-2,3-dihydro-1H-carbazol-4-one.
What is the SMILES notation for 9-benzyl-7-nitro-2,3-dihydro-1H-carbazol-4-one?
The canonical SMILES for 9-benzyl-7-nitro-2,3-dihydro-1H-carbazol-4-one is O=C1CCCc2c1c1ccc([N+](=O)[O-])cc1n2Cc1ccccc1.
What is the InChIKey of 9-benzyl-7-nitro-2,3-dihydro-1H-carbazol-4-one?
The InChIKey is ZNXSMBIVDMXYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c22-18-8-4-7-16-19(18)15-10-9-14(21(23)24)11-17(15)20(16)12-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8,12H2.
What are the key properties of 9-benzyl-7-nitro-2,3-dihydro-1H-carbazol-4-one?
9-benzyl-7-nitro-2,3-dihydro-1H-carbazol-4-one has a molecular weight of 320.35 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-7-nitro-2,3-dihydro-1H-carbazol-4-one is sourced from PubChem (CID 135017217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).