2,2-dimethyl-1-(3-nitrosocyclohexyl)propan-1-one

C11H19NO2 — CID 163399683

IUPAC2,2-dimethyl-1-(3-nitrosocyclohexyl)propan-1-one
SMILESCC(C)(C)C(=O)C1CCCC(N=O)C1
InChIInChI=1S/C11H19NO2/c1-11(2,3)10(13)8-5-4-6-9(7-8)12-14/h8-9H,4-7H2,1-3H3
InChIKeyPWHCRQJODDSXLD-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.93
Rot. Bonds2

About 2,2-dimethyl-1-(3-nitrosocyclohexyl)propan-1-one

2,2-dimethyl-1-(3-nitrosocyclohexyl)propan-1-one (PubChem CID 163399683) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2,2-dimethyl-1-(3-nitrosocyclohexyl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(3-nitrosocyclohexyl)propan-1-one
PubChem CID163399683
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2,2-dimethyl-1-(3-nitrosocyclohexyl)propan-1-one
SMILESCC(C)(C)C(=O)C1CCCC(N=O)C1
InChIInChI=1S/C11H19NO2/c1-11(2,3)10(13)8-5-4-6-9(7-8)12-14/h8-9H,4-7H2,1-3H3
InChIKeyPWHCRQJODDSXLD-UHFFFAOYSA-N
XLogP2.93
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-acetylcyclohexyl)-2,2-dimethylpropan-1-one
CID 138498595
2,2-dimethyl-1-(3-propanoylcyclohexyl)propan-1-one
CID 166711162
1-[3-(difluoromethyl)cyclohexyl]-2,2-dimethylpropan-1-one
CID 176833501
2,2-dimethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]propan-1-one
CID 139428026
1-(3-hydroxycyclobutyl)-2,2-dimethylpropan-1-one
CID 153429546
1-[(1S,3R)-3-fluorocyclopentyl]-2,2-dimethylpropan-1-one
CID 161235938
2,2-dimethyl-1-[(3R)-1-methylpiperidin-3-yl]propan-1-one
CID 155222976
1-(3-aminocyclobutyl)-2,2-dimethylpropan-1-one
CID 116917647
N-(2,2-dimethylpropanoyl)cyclobutanecarboxamide
CID 23273706
1-[4-(3,3-dimethylbut-1-en-2-yl)cyclohexyl]-2,2-dimethylpropan-1-one
CID 160987153
1-[(1S,2S)-2-hydroxycyclopentyl]-2,2-dimethylpropan-1-one
CID 124704154
2,2-dimethyl-1-(oxetan-3-yl)propan-1-one
CID 58961075

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(3-nitrosocyclohexyl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(3-nitrosocyclohexyl)propan-1-one (CID 163399683) is 2,2-dimethyl-1-(3-nitrosocyclohexyl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(3-nitrosocyclohexyl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(3-nitrosocyclohexyl)propan-1-one is CC(C)(C)C(=O)C1CCCC(N=O)C1.
What is the InChIKey of 2,2-dimethyl-1-(3-nitrosocyclohexyl)propan-1-one?
The InChIKey is PWHCRQJODDSXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2,3)10(13)8-5-4-6-9(7-8)12-14/h8-9H,4-7H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(3-nitrosocyclohexyl)propan-1-one?
2,2-dimethyl-1-(3-nitrosocyclohexyl)propan-1-one has a molecular weight of 197.28 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(3-nitrosocyclohexyl)propan-1-one is sourced from PubChem (CID 163399683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).