5,6-dimethyl-4-nitrosocyclohex-2-en-1-ol

C8H13NO2 — CID 129151603

IUPAC5,6-dimethyl-4-nitrosocyclohex-2-en-1-ol
SMILESCC1C(O)C=CC(N=O)C1C
InChIInChI=1S/C8H13NO2/c1-5-6(2)8(10)4-3-7(5)9-11/h3-8,10H,1-2H3
InChIKeyZBBGKICKFBXOCS-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.32
Rot. Bonds1

About 5,6-dimethyl-4-nitrosocyclohex-2-en-1-ol

5,6-dimethyl-4-nitrosocyclohex-2-en-1-ol (PubChem CID 129151603) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 5,6-dimethyl-4-nitrosocyclohex-2-en-1-ol.

Molecular Properties

Compound Name5,6-dimethyl-4-nitrosocyclohex-2-en-1-ol
PubChem CID129151603
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name5,6-dimethyl-4-nitrosocyclohex-2-en-1-ol
SMILESCC1C(O)C=CC(N=O)C1C
InChIInChI=1S/C8H13NO2/c1-5-6(2)8(10)4-3-7(5)9-11/h3-8,10H,1-2H3
InChIKeyZBBGKICKFBXOCS-UHFFFAOYSA-N
XLogP1.32
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-nitrosocyclohex-2-en-1-ol?
The IUPAC name of 5,6-dimethyl-4-nitrosocyclohex-2-en-1-ol (CID 129151603) is 5,6-dimethyl-4-nitrosocyclohex-2-en-1-ol.
What is the SMILES notation for 5,6-dimethyl-4-nitrosocyclohex-2-en-1-ol?
The canonical SMILES for 5,6-dimethyl-4-nitrosocyclohex-2-en-1-ol is CC1C(O)C=CC(N=O)C1C.
What is the InChIKey of 5,6-dimethyl-4-nitrosocyclohex-2-en-1-ol?
The InChIKey is ZBBGKICKFBXOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5-6(2)8(10)4-3-7(5)9-11/h3-8,10H,1-2H3.
What are the key properties of 5,6-dimethyl-4-nitrosocyclohex-2-en-1-ol?
5,6-dimethyl-4-nitrosocyclohex-2-en-1-ol has a molecular weight of 155.20 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-nitrosocyclohex-2-en-1-ol is sourced from PubChem (CID 129151603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).