cyclohexyl-[1-(2-nitroethyl)cyclohexyl]methanone

C15H25NO3 — CID 100967959

IUPACcyclohexyl-[1-(2-nitroethyl)cyclohexyl]methanone
SMILESO=C(C1CCCCC1)C1(CC[N+](=O)[O-])CCCCC1
InChIInChI=1S/C15H25NO3/c17-14(13-7-3-1-4-8-13)15(11-12-16(18)19)9-5-2-6-10-15/h13H,1-12H2
InChIKeyWWAROJJCJWSGFE-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.75
Rot. Bonds5

About cyclohexyl-[1-(2-nitroethyl)cyclohexyl]methanone

cyclohexyl-[1-(2-nitroethyl)cyclohexyl]methanone (PubChem CID 100967959) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is cyclohexyl-[1-(2-nitroethyl)cyclohexyl]methanone.

Molecular Properties

Compound Namecyclohexyl-[1-(2-nitroethyl)cyclohexyl]methanone
PubChem CID100967959
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Namecyclohexyl-[1-(2-nitroethyl)cyclohexyl]methanone
SMILESO=C(C1CCCCC1)C1(CC[N+](=O)[O-])CCCCC1
InChIInChI=1S/C15H25NO3/c17-14(13-7-3-1-4-8-13)15(11-12-16(18)19)9-5-2-6-10-15/h13H,1-12H2
InChIKeyWWAROJJCJWSGFE-UHFFFAOYSA-N
XLogP3.75
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.75
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

cyclohexyl-(1-prop-2-enylcyclohexyl)methanone
CID 174667942
[1-(aminomethyl)cyclobutyl]-cyclopentylmethanone
CID 116600201
1-(nitromethyl)cyclohexane-1-carboxylic acid
CID 56608128
cyclopentyl-(4-propylpiperidin-4-yl)methanone
CID 116569037
cyclohexyl-(3-ethylpyrrolidin-3-yl)methanone
CID 116570196
1-(cyclohexanecarbonyl)cyclopentane-1-carboxylic acid
CID 71397713
2-nitroethylcyclohexane
CID 11126523
cycloheptyl-(1-methylcyclopropyl)methanone
CID 82931087
[4-(aminomethyl)oxan-4-yl]-cyclopentylmethanone
CID 116602976
cyclopentyl-[1-(dimethylamino)cycloheptyl]methanone
CID 79074263
1-[(cyclohexanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 69400249
methyl 1-(cyclohexanecarbonyl)cyclopentane-1-carboxylate
CID 86032641

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[1-(2-nitroethyl)cyclohexyl]methanone?
The IUPAC name of cyclohexyl-[1-(2-nitroethyl)cyclohexyl]methanone (CID 100967959) is cyclohexyl-[1-(2-nitroethyl)cyclohexyl]methanone.
What is the SMILES notation for cyclohexyl-[1-(2-nitroethyl)cyclohexyl]methanone?
The canonical SMILES for cyclohexyl-[1-(2-nitroethyl)cyclohexyl]methanone is O=C(C1CCCCC1)C1(CC[N+](=O)[O-])CCCCC1.
What is the InChIKey of cyclohexyl-[1-(2-nitroethyl)cyclohexyl]methanone?
The InChIKey is WWAROJJCJWSGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c17-14(13-7-3-1-4-8-13)15(11-12-16(18)19)9-5-2-6-10-15/h13H,1-12H2.
What are the key properties of cyclohexyl-[1-(2-nitroethyl)cyclohexyl]methanone?
cyclohexyl-[1-(2-nitroethyl)cyclohexyl]methanone has a molecular weight of 267.37 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[1-(2-nitroethyl)cyclohexyl]methanone is sourced from PubChem (CID 100967959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).