1-(2-nitrosocyclohexyl)ethanone

C8H13NO2 — CID 88849081

IUPAC1-(2-nitrosocyclohexyl)ethanone
SMILESCC(=O)C1CCCCC1N=O
InChIInChI=1S/C8H13NO2/c1-6(10)7-4-2-3-5-8(7)9-11/h7-8H,2-5H2,1H3
InChIKeyKDHMHVFFZBWZGC-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.90
Rot. Bonds2

About 1-(2-nitrosocyclohexyl)ethanone

1-(2-nitrosocyclohexyl)ethanone (PubChem CID 88849081) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(2-nitrosocyclohexyl)ethanone.

Molecular Properties

Compound Name1-(2-nitrosocyclohexyl)ethanone
PubChem CID88849081
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-(2-nitrosocyclohexyl)ethanone
SMILESCC(=O)C1CCCCC1N=O
InChIInChI=1S/C8H13NO2/c1-6(10)7-4-2-3-5-8(7)9-11/h7-8H,2-5H2,1H3
InChIKeyKDHMHVFFZBWZGC-UHFFFAOYSA-N
XLogP1.90
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrosocyclohexyl)ethanone?
The IUPAC name of 1-(2-nitrosocyclohexyl)ethanone (CID 88849081) is 1-(2-nitrosocyclohexyl)ethanone.
What is the SMILES notation for 1-(2-nitrosocyclohexyl)ethanone?
The canonical SMILES for 1-(2-nitrosocyclohexyl)ethanone is CC(=O)C1CCCCC1N=O.
What is the InChIKey of 1-(2-nitrosocyclohexyl)ethanone?
The InChIKey is KDHMHVFFZBWZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6(10)7-4-2-3-5-8(7)9-11/h7-8H,2-5H2,1H3.
What are the key properties of 1-(2-nitrosocyclohexyl)ethanone?
1-(2-nitrosocyclohexyl)ethanone has a molecular weight of 155.20 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrosocyclohexyl)ethanone is sourced from PubChem (CID 88849081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).