3-nitro-9-propan-2-ylcarbazole

C15H14N2O2 — CID 617471

IUPAC3-nitro-9-propan-2-ylcarbazole
SMILESCC(C)n1c2ccccc2c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C15H14N2O2/c1-10(2)16-14-6-4-3-5-12(14)13-9-11(17(18)19)7-8-15(13)16/h3-10H,1-2H3
InChIKeyKNNXKGZUJSXAJQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP4.28
Rot. Bonds2

About 3-nitro-9-propan-2-ylcarbazole

3-nitro-9-propan-2-ylcarbazole (PubChem CID 617471) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-nitro-9-propan-2-ylcarbazole.

Molecular Properties

Compound Name3-nitro-9-propan-2-ylcarbazole
PubChem CID617471
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name3-nitro-9-propan-2-ylcarbazole
SMILESCC(C)n1c2ccccc2c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C15H14N2O2/c1-10(2)16-14-6-4-3-5-12(14)13-9-11(17(18)19)7-8-15(13)16/h3-10H,1-2H3
InChIKeyKNNXKGZUJSXAJQ-UHFFFAOYSA-N
XLogP4.28
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-nitro-9-propan-2-ylcarbazole?
The IUPAC name of 3-nitro-9-propan-2-ylcarbazole (CID 617471) is 3-nitro-9-propan-2-ylcarbazole.
What is the SMILES notation for 3-nitro-9-propan-2-ylcarbazole?
The canonical SMILES for 3-nitro-9-propan-2-ylcarbazole is CC(C)n1c2ccccc2c2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 3-nitro-9-propan-2-ylcarbazole?
The InChIKey is KNNXKGZUJSXAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-10(2)16-14-6-4-3-5-12(14)13-9-11(17(18)19)7-8-15(13)16/h3-10H,1-2H3.
What are the key properties of 3-nitro-9-propan-2-ylcarbazole?
3-nitro-9-propan-2-ylcarbazole has a molecular weight of 254.29 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-9-propan-2-ylcarbazole is sourced from PubChem (CID 617471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).