1,1-dideuterio-3-nitrosocyclohexane

C6H11NO — CID 123258428

IUPAC1,1-dideuterio-3-nitrosocyclohexane
SMILES[2H]C1([2H])CCCC(N=O)C1
InChIInChI=1S/C6H11NO/c8-7-6-4-2-1-3-5-6/h6H,1-5H2/i2D2
InChIKeyAFLQDEOAJRGCOW-CBTSVUPCSA-N
MW115.17 g/mol
LogP2.09
Rot. Bonds1

About 1,1-dideuterio-3-nitrosocyclohexane

1,1-dideuterio-3-nitrosocyclohexane (PubChem CID 123258428) has the molecular formula C6H11NO and a molecular weight of 115.17 g/mol. Its IUPAC name is 1,1-dideuterio-3-nitrosocyclohexane.

Molecular Properties

Compound Name1,1-dideuterio-3-nitrosocyclohexane
PubChem CID123258428
Molecular FormulaC6H11NO
Molecular Weight115.17 g/mol
Exact Mass115.10
IUPAC Name1,1-dideuterio-3-nitrosocyclohexane
SMILES[2H]C1([2H])CCCC(N=O)C1
InChIInChI=1S/C6H11NO/c8-7-6-4-2-1-3-5-6/h6H,1-5H2/i2D2
InChIKeyAFLQDEOAJRGCOW-CBTSVUPCSA-N
XLogP2.09
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.17
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Nitrocyclohexane
CID 14285
Nitrosocyclohexane
CID 11768540
1,2-Dinitrosocyclohexane
CID 13116335
cis-1,4-Dinitrosocyclohexane
CID 21304116
1,1-Difluoro-4-nitrosocyclohexane
CID 156851306
2-Nitrosoheptane
CID 53691154
2-Nitrosohexane
CID 53705185
3-Nitrosohexane
CID 53708766
3-Nitrosoheptane
CID 54273432
1,3-Dinitrosocyclohexane
CID 54527344
(2R)-2-nitrosohexane
CID 89346968
1,1,2,2,3,3-Hexadeuterio-5-nitrosocyclohexane
CID 91298691

Frequently Asked Questions

What is the IUPAC name of 1,1-dideuterio-3-nitrosocyclohexane?
The IUPAC name of 1,1-dideuterio-3-nitrosocyclohexane (CID 123258428) is 1,1-dideuterio-3-nitrosocyclohexane.
What is the SMILES notation for 1,1-dideuterio-3-nitrosocyclohexane?
The canonical SMILES for 1,1-dideuterio-3-nitrosocyclohexane is [2H]C1([2H])CCCC(N=O)C1.
What is the InChIKey of 1,1-dideuterio-3-nitrosocyclohexane?
The InChIKey is AFLQDEOAJRGCOW-CBTSVUPCSA-N. The full InChI is InChI=1S/C6H11NO/c8-7-6-4-2-1-3-5-6/h6H,1-5H2/i2D2.
What are the key properties of 1,1-dideuterio-3-nitrosocyclohexane?
1,1-dideuterio-3-nitrosocyclohexane has a molecular weight of 115.17 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dideuterio-3-nitrosocyclohexane is sourced from PubChem (CID 123258428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).