3-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]ethyl]-1,3-oxazolidin-2-one

C13H22N2O2 — CID 84594246

IUPAC3-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]ethyl]-1,3-oxazolidin-2-one
SMILESCN(CCN1CCOC1=O)CC1CC=CCC1
InChIInChI=1S/C13H22N2O2/c1-14(11-12-5-3-2-4-6-12)7-8-15-9-10-17-13(15)16/h2-3,12H,4-11H2,1H3
InChIKeyMPJHCFCZNMXZPL-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.73
Rot. Bonds5

About 3-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]ethyl]-1,3-oxazolidin-2-one

3-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]ethyl]-1,3-oxazolidin-2-one (PubChem CID 84594246) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]ethyl]-1,3-oxazolidin-2-one
PubChem CID84594246
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]ethyl]-1,3-oxazolidin-2-one
SMILESCN(CCN1CCOC1=O)CC1CC=CCC1
InChIInChI=1S/C13H22N2O2/c1-14(11-12-5-3-2-4-6-12)7-8-15-9-10-17-13(15)16/h2-3,12H,4-11H2,1H3
InChIKeyMPJHCFCZNMXZPL-UHFFFAOYSA-N
XLogP1.73
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]ethyl]-1,3-oxazolidin-2-one (CID 84594246) is 3-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]ethyl]-1,3-oxazolidin-2-one is CN(CCN1CCOC1=O)CC1CC=CCC1.
What is the InChIKey of 3-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is MPJHCFCZNMXZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-14(11-12-5-3-2-4-6-12)7-8-15-9-10-17-13(15)16/h2-3,12H,4-11H2,1H3.
What are the key properties of 3-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]ethyl]-1,3-oxazolidin-2-one?
3-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 238.33 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 84594246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).