[(1S,2Z,4S)-2-hydroxyimino-1-methyl-4-prop-1-en-2-ylcyclohexyl]-dimethylazanium

C12H23N2O+ — CID 7348734

IUPAC[(1S,2Z,4S)-2-hydroxyimino-1-methyl-4-prop-1-en-2-ylcyclohexyl]-dimethylazanium
SMILESC=C(C)[C@H]1CC[C@](C)([NH+](C)C)/C(=N\O)C1
InChIInChI=1S/C12H22N2O/c1-9(2)10-6-7-12(3,14(4)5)11(8-10)13-15/h10,15H,1,6-8H2,2-5H3/p+1/b13-11-/t10-,12-/m0/s1
InChIKeyHDYBOEKRMHUWEF-QQNIERAZSA-O
MW211.33 g/mol
LogP1.10
Rot. Bonds2

About [(1S,2Z,4S)-2-hydroxyimino-1-methyl-4-prop-1-en-2-ylcyclohexyl]-dimethylazanium

[(1S,2Z,4S)-2-hydroxyimino-1-methyl-4-prop-1-en-2-ylcyclohexyl]-dimethylazanium (PubChem CID 7348734) has the molecular formula C12H23N2O+ and a molecular weight of 211.33 g/mol. Its IUPAC name is [(1S,2Z,4S)-2-hydroxyimino-1-methyl-4-prop-1-en-2-ylcyclohexyl]-dimethylazanium.

Molecular Properties

Compound Name[(1S,2Z,4S)-2-hydroxyimino-1-methyl-4-prop-1-en-2-ylcyclohexyl]-dimethylazanium
PubChem CID7348734
Molecular FormulaC12H23N2O+
Molecular Weight211.33 g/mol
Exact Mass211.18
IUPAC Name[(1S,2Z,4S)-2-hydroxyimino-1-methyl-4-prop-1-en-2-ylcyclohexyl]-dimethylazanium
SMILESC=C(C)[C@H]1CC[C@](C)([NH+](C)C)/C(=N\O)C1
InChIInChI=1S/C12H22N2O/c1-9(2)10-6-7-12(3,14(4)5)11(8-10)13-15/h10,15H,1,6-8H2,2-5H3/p+1/b13-11-/t10-,12-/m0/s1
InChIKeyHDYBOEKRMHUWEF-QQNIERAZSA-O
XLogP1.10
TPSA37.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 [(1S,2Z,4S)-2-hydroxyimino-1-methyl-4-prop-1-en-2-ylcyclohexyl]-dimethylazanium?
The IUPAC name of [(1S,2Z,4S)-2-hydroxyimino-1-methyl-4-prop-1-en-2-ylcyclohexyl]-dimethylazanium (CID 7348734) is [(1S,2Z,4S)-2-hydroxyimino-1-methyl-4-prop-1-en-2-ylcyclohexyl]-dimethylazanium.
What is the SMILES notation for [(1S,2Z,4S)-2-hydroxyimino-1-methyl-4-prop-1-en-2-ylcyclohexyl]-dimethylazanium?
The canonical SMILES for [(1S,2Z,4S)-2-hydroxyimino-1-methyl-4-prop-1-en-2-ylcyclohexyl]-dimethylazanium is C=C(C)[C@H]1CC[C@](C)([NH+](C)C)/C(=N\O)C1.
What is the InChIKey of [(1S,2Z,4S)-2-hydroxyimino-1-methyl-4-prop-1-en-2-ylcyclohexyl]-dimethylazanium?
The InChIKey is HDYBOEKRMHUWEF-QQNIERAZSA-O. The full InChI is InChI=1S/C12H22N2O/c1-9(2)10-6-7-12(3,14(4)5)11(8-10)13-15/h10,15H,1,6-8H2,2-5H3/p+1/b13-11-/t10-,12-/m0/s1.
What are the key properties of [(1S,2Z,4S)-2-hydroxyimino-1-methyl-4-prop-1-en-2-ylcyclohexyl]-dimethylazanium?
[(1S,2Z,4S)-2-hydroxyimino-1-methyl-4-prop-1-en-2-ylcyclohexyl]-dimethylazanium has a molecular weight of 211.33 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2Z,4S)-2-hydroxyimino-1-methyl-4-prop-1-en-2-ylcyclohexyl]-dimethylazanium is sourced from PubChem (CID 7348734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).