cyclohex-2-en-1-ol;nitric acid

C6H11NO4 — CID 71441761

IUPACcyclohex-2-en-1-ol;nitric acid
SMILESO=[N+]([O-])O.OC1C=CCCC1
InChIInChI=1S/C6H10O.HNO3/c7-6-4-2-1-3-5-6;2-1(3)4/h2,4,6-7H,1,3,5H2;(H,2,3,4)
InChIKeyNZPXADUUBIVMIF-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.74
Rot. Bonds

About cyclohex-2-en-1-ol;nitric acid

cyclohex-2-en-1-ol;nitric acid (PubChem CID 71441761) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is cyclohex-2-en-1-ol;nitric acid.

Molecular Properties

Compound Namecyclohex-2-en-1-ol;nitric acid
PubChem CID71441761
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Namecyclohex-2-en-1-ol;nitric acid
SMILESO=[N+]([O-])O.OC1C=CCCC1
InChIInChI=1S/C6H10O.HNO3/c7-6-4-2-1-3-5-6;2-1(3)4/h2,4,6-7H,1,3,5H2;(H,2,3,4)
InChIKeyNZPXADUUBIVMIF-UHFFFAOYSA-N
XLogP0.74
TPSA83.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohex-2-en-1-ol;nitric acid?
The IUPAC name of cyclohex-2-en-1-ol;nitric acid (CID 71441761) is cyclohex-2-en-1-ol;nitric acid.
What is the SMILES notation for cyclohex-2-en-1-ol;nitric acid?
The canonical SMILES for cyclohex-2-en-1-ol;nitric acid is O=[N+]([O-])O.OC1C=CCCC1.
What is the InChIKey of cyclohex-2-en-1-ol;nitric acid?
The InChIKey is NZPXADUUBIVMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.HNO3/c7-6-4-2-1-3-5-6;2-1(3)4/h2,4,6-7H,1,3,5H2;(H,2,3,4).
What are the key properties of cyclohex-2-en-1-ol;nitric acid?
cyclohex-2-en-1-ol;nitric acid has a molecular weight of 161.16 g/mol, XLogP of 0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-ol;nitric acid is sourced from PubChem (CID 71441761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).