cyclohexyl-(2-nitrophenyl)methanone

C13H15NO3 — CID 82116139

IUPACcyclohexyl-(2-nitrophenyl)methanone
SMILESO=C(c1ccccc1[N+](=O)[O-])C1CCCCC1
InChIInChI=1S/C13H15NO3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h4-5,8-10H,1-3,6-7H2
InChIKeyGSRXNUDCUMDJTF-UHFFFAOYSA-N
MW233.27 g/mol
LogP3.36
Rot. Bonds3

About cyclohexyl-(2-nitrophenyl)methanone

cyclohexyl-(2-nitrophenyl)methanone (PubChem CID 82116139) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is cyclohexyl-(2-nitrophenyl)methanone.

Molecular Properties

Compound Namecyclohexyl-(2-nitrophenyl)methanone
PubChem CID82116139
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Namecyclohexyl-(2-nitrophenyl)methanone
SMILESO=C(c1ccccc1[N+](=O)[O-])C1CCCCC1
InChIInChI=1S/C13H15NO3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h4-5,8-10H,1-3,6-7H2
InChIKeyGSRXNUDCUMDJTF-UHFFFAOYSA-N
XLogP3.36
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 53.36
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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Related Compounds

(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-nitrophenyl)methanone
CID 61234044
N-[2-[2-(2-nitrobenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925375
1-(2-nitrobenzoyl)piperidine-2-carboxylic acid
CID 16783189
1,2-bis(2-nitrophenyl)ethane-1,2-dione
CID 15851155
cyclooctyl-(2-methylphenyl)methanone
CID 80602643
cycloheptyl-(2-iodophenyl)methanone
CID 115794862
[2-(chloromethyl)azepan-1-yl]-(2-nitrophenyl)methanone
CID 116639176
benzene;2-nitrobenzoic acid
CID 19891435
N-(2-bromoethyl)-N-cyclohexyl-2-nitrobenzamide
CID 80652468
N-[(2-bromocyclohexyl)methyl]-2-nitrobenzamide
CID 114312172
N-(2-bromocyclopentyl)-2-nitrobenzamide
CID 80663029
2-nitro-N-piperidin-1-ylbenzamide
CID 17163930

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(2-nitrophenyl)methanone?
The IUPAC name of cyclohexyl-(2-nitrophenyl)methanone (CID 82116139) is cyclohexyl-(2-nitrophenyl)methanone.
What is the SMILES notation for cyclohexyl-(2-nitrophenyl)methanone?
The canonical SMILES for cyclohexyl-(2-nitrophenyl)methanone is O=C(c1ccccc1[N+](=O)[O-])C1CCCCC1.
What is the InChIKey of cyclohexyl-(2-nitrophenyl)methanone?
The InChIKey is GSRXNUDCUMDJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h4-5,8-10H,1-3,6-7H2.
What are the key properties of cyclohexyl-(2-nitrophenyl)methanone?
cyclohexyl-(2-nitrophenyl)methanone has a molecular weight of 233.27 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(2-nitrophenyl)methanone is sourced from PubChem (CID 82116139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).