cyclohex-3-en-1-yl-(2,6-dimethylmorpholin-4-yl)methanone

C13H21NO2 — CID 12760864

IUPACcyclohex-3-en-1-yl-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C2CC=CCC2)CC(C)O1
InChIInChI=1S/C13H21NO2/c1-10-8-14(9-11(2)16-10)13(15)12-6-4-3-5-7-12/h3-4,10-12H,5-9H2,1-2H3
InChIKeyCNZISIKTLHAHBJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.98
Rot. Bonds1

About cyclohex-3-en-1-yl-(2,6-dimethylmorpholin-4-yl)methanone

cyclohex-3-en-1-yl-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 12760864) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID12760864
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Namecyclohex-3-en-1-yl-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C2CC=CCC2)CC(C)O1
InChIInChI=1S/C13H21NO2/c1-10-8-14(9-11(2)16-10)13(15)12-6-4-3-5-7-12/h3-4,10-12H,5-9H2,1-2H3
InChIKeyCNZISIKTLHAHBJ-UHFFFAOYSA-N
XLogP1.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 cyclohex-3-en-1-yl-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of cyclohex-3-en-1-yl-(2,6-dimethylmorpholin-4-yl)methanone (CID 12760864) is cyclohex-3-en-1-yl-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for cyclohex-3-en-1-yl-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)C2CC=CCC2)CC(C)O1.
What is the InChIKey of cyclohex-3-en-1-yl-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is CNZISIKTLHAHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10-8-14(9-11(2)16-10)13(15)12-6-4-3-5-7-12/h3-4,10-12H,5-9H2,1-2H3.
What are the key properties of cyclohex-3-en-1-yl-(2,6-dimethylmorpholin-4-yl)methanone?
cyclohex-3-en-1-yl-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 223.32 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 12760864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).