3-imino-5,5-dimethylcyclohexen-1-olate

C8H12NO- — CID 163570969

IUPAC3-imino-5,5-dimethylcyclohexen-1-olate
SMILES[H]/N=C1\C=C([O-])CC(C)(C)C1
InChIInChI=1S/C8H13NO/c1-8(2)4-6(9)3-7(10)5-8/h3,9-10H,4-5H2,1-2H3/p-1/b9-6+
InChIKeyCYBHZOPDGFISOR-RMKNXTFCSA-M
MW138.19 g/mol
LogP1.07
Rot. Bonds

About 3-imino-5,5-dimethylcyclohexen-1-olate

3-imino-5,5-dimethylcyclohexen-1-olate (PubChem CID 163570969) has the molecular formula C8H12NO- and a molecular weight of 138.19 g/mol. Its IUPAC name is 3-imino-5,5-dimethylcyclohexen-1-olate.

Molecular Properties

Compound Name3-imino-5,5-dimethylcyclohexen-1-olate
PubChem CID163570969
Molecular FormulaC8H12NO-
Molecular Weight138.19 g/mol
Exact Mass138.09
IUPAC Name3-imino-5,5-dimethylcyclohexen-1-olate
SMILES[H]/N=C1\C=C([O-])CC(C)(C)C1
InChIInChI=1S/C8H13NO/c1-8(2)4-6(9)3-7(10)5-8/h3,9-10H,4-5H2,1-2H3/p-1/b9-6+
InChIKeyCYBHZOPDGFISOR-RMKNXTFCSA-M
XLogP1.07
TPSA46.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-Ethoxy-5,5-dimethylcyclohex-2-en-1-imine
CID 3705223
(3-Ethoxy-5,5-dimethylcyclohex-2-en-1-ylidene)azanium
CID 3705222
3-Ethoxy-5,5-dimethylcyclohex-2-en-1-iminium iodide
CID 44888612
3-Methoxy-5,5-dimethylcyclohex-2-en-1-imine
CID 45090894
3-Ethoxy-5,5-dimethylcyclohex-2-en-1-imine;hydroiodide
CID 137887625

Frequently Asked Questions

What is the IUPAC name of 3-imino-5,5-dimethylcyclohexen-1-olate?
The IUPAC name of 3-imino-5,5-dimethylcyclohexen-1-olate (CID 163570969) is 3-imino-5,5-dimethylcyclohexen-1-olate.
What is the SMILES notation for 3-imino-5,5-dimethylcyclohexen-1-olate?
The canonical SMILES for 3-imino-5,5-dimethylcyclohexen-1-olate is [H]/N=C1\C=C([O-])CC(C)(C)C1.
What is the InChIKey of 3-imino-5,5-dimethylcyclohexen-1-olate?
The InChIKey is CYBHZOPDGFISOR-RMKNXTFCSA-M. The full InChI is InChI=1S/C8H13NO/c1-8(2)4-6(9)3-7(10)5-8/h3,9-10H,4-5H2,1-2H3/p-1/b9-6+.
What are the key properties of 3-imino-5,5-dimethylcyclohexen-1-olate?
3-imino-5,5-dimethylcyclohexen-1-olate has a molecular weight of 138.19 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-5,5-dimethylcyclohexen-1-olate is sourced from PubChem (CID 163570969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).