aziridin-1-yl-(2,6-dimethylcyclohex-2-en-1-yl)methanol

C11H19NO — CID 123232130

IUPACaziridin-1-yl-(2,6-dimethylcyclohex-2-en-1-yl)methanol
SMILESCC1=CCCC(C)C1C(O)N1CC1
InChIInChI=1S/C11H19NO/c1-8-4-3-5-9(2)10(8)11(13)12-6-7-12/h4,9-11,13H,3,5-7H2,1-2H3
InChIKeyLHUZDDLKAOBTHU-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.61
Rot. Bonds2

About aziridin-1-yl-(2,6-dimethylcyclohex-2-en-1-yl)methanol

aziridin-1-yl-(2,6-dimethylcyclohex-2-en-1-yl)methanol (PubChem CID 123232130) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is aziridin-1-yl-(2,6-dimethylcyclohex-2-en-1-yl)methanol.

Molecular Properties

Compound Nameaziridin-1-yl-(2,6-dimethylcyclohex-2-en-1-yl)methanol
PubChem CID123232130
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Nameaziridin-1-yl-(2,6-dimethylcyclohex-2-en-1-yl)methanol
SMILESCC1=CCCC(C)C1C(O)N1CC1
InChIInChI=1S/C11H19NO/c1-8-4-3-5-9(2)10(8)11(13)12-6-7-12/h4,9-11,13H,3,5-7H2,1-2H3
InChIKeyLHUZDDLKAOBTHU-UHFFFAOYSA-N
XLogP1.61
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of aziridin-1-yl-(2,6-dimethylcyclohex-2-en-1-yl)methanol?
The IUPAC name of aziridin-1-yl-(2,6-dimethylcyclohex-2-en-1-yl)methanol (CID 123232130) is aziridin-1-yl-(2,6-dimethylcyclohex-2-en-1-yl)methanol.
What is the SMILES notation for aziridin-1-yl-(2,6-dimethylcyclohex-2-en-1-yl)methanol?
The canonical SMILES for aziridin-1-yl-(2,6-dimethylcyclohex-2-en-1-yl)methanol is CC1=CCCC(C)C1C(O)N1CC1.
What is the InChIKey of aziridin-1-yl-(2,6-dimethylcyclohex-2-en-1-yl)methanol?
The InChIKey is LHUZDDLKAOBTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8-4-3-5-9(2)10(8)11(13)12-6-7-12/h4,9-11,13H,3,5-7H2,1-2H3.
What are the key properties of aziridin-1-yl-(2,6-dimethylcyclohex-2-en-1-yl)methanol?
aziridin-1-yl-(2,6-dimethylcyclohex-2-en-1-yl)methanol has a molecular weight of 181.28 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aziridin-1-yl-(2,6-dimethylcyclohex-2-en-1-yl)methanol is sourced from PubChem (CID 123232130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).