3-cyclohexyl-5-nitro-1H-indole

C14H16N2O2 — CID 90152657

IUPAC3-cyclohexyl-5-nitro-1H-indole
SMILESO=[N+]([O-])c1ccc2[nH]cc(C3CCCCC3)c2c1
InChIInChI=1S/C14H16N2O2/c17-16(18)11-6-7-14-12(8-11)13(9-15-14)10-4-2-1-3-5-10/h6-10,15H,1-5H2
InChIKeyOHMOUQJACXQQQI-UHFFFAOYSA-N
MW244.29 g/mol
LogP4.12
Rot. Bonds2

About 3-cyclohexyl-5-nitro-1H-indole

3-cyclohexyl-5-nitro-1H-indole (PubChem CID 90152657) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-cyclohexyl-5-nitro-1H-indole.

Molecular Properties

Compound Name3-cyclohexyl-5-nitro-1H-indole
PubChem CID90152657
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-cyclohexyl-5-nitro-1H-indole
SMILESO=[N+]([O-])c1ccc2[nH]cc(C3CCCCC3)c2c1
InChIInChI=1S/C14H16N2O2/c17-16(18)11-6-7-14-12(8-11)13(9-15-14)10-4-2-1-3-5-10/h6-10,15H,1-5H2
InChIKeyOHMOUQJACXQQQI-UHFFFAOYSA-N
XLogP4.12
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-cyclohexyl-5-nitro-1H-indole?
The IUPAC name of 3-cyclohexyl-5-nitro-1H-indole (CID 90152657) is 3-cyclohexyl-5-nitro-1H-indole.
What is the SMILES notation for 3-cyclohexyl-5-nitro-1H-indole?
The canonical SMILES for 3-cyclohexyl-5-nitro-1H-indole is O=[N+]([O-])c1ccc2[nH]cc(C3CCCCC3)c2c1.
What is the InChIKey of 3-cyclohexyl-5-nitro-1H-indole?
The InChIKey is OHMOUQJACXQQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-16(18)11-6-7-14-12(8-11)13(9-15-14)10-4-2-1-3-5-10/h6-10,15H,1-5H2.
What are the key properties of 3-cyclohexyl-5-nitro-1H-indole?
3-cyclohexyl-5-nitro-1H-indole has a molecular weight of 244.29 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-nitro-1H-indole is sourced from PubChem (CID 90152657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).