3-(cyclohexylidenemethyl)-1,3-oxazolidin-2-one

C10H15NO2 — CID 102490482

IUPAC3-(cyclohexylidenemethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C=C1CCCCC1
InChIInChI=1S/C10H15NO2/c12-10-11(6-7-13-10)8-9-4-2-1-3-5-9/h8H,1-7H2
InChIKeyMNTXSHHQSAFCAI-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.29
Rot. Bonds1

About 3-(cyclohexylidenemethyl)-1,3-oxazolidin-2-one

3-(cyclohexylidenemethyl)-1,3-oxazolidin-2-one (PubChem CID 102490482) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-(cyclohexylidenemethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(cyclohexylidenemethyl)-1,3-oxazolidin-2-one
PubChem CID102490482
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-(cyclohexylidenemethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C=C1CCCCC1
InChIInChI=1S/C10H15NO2/c12-10-11(6-7-13-10)8-9-4-2-1-3-5-9/h8H,1-7H2
InChIKeyMNTXSHHQSAFCAI-UHFFFAOYSA-N
XLogP2.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylidenemethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(cyclohexylidenemethyl)-1,3-oxazolidin-2-one (CID 102490482) is 3-(cyclohexylidenemethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(cyclohexylidenemethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(cyclohexylidenemethyl)-1,3-oxazolidin-2-one is O=C1OCCN1C=C1CCCCC1.
What is the InChIKey of 3-(cyclohexylidenemethyl)-1,3-oxazolidin-2-one?
The InChIKey is MNTXSHHQSAFCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c12-10-11(6-7-13-10)8-9-4-2-1-3-5-9/h8H,1-7H2.
What are the key properties of 3-(cyclohexylidenemethyl)-1,3-oxazolidin-2-one?
3-(cyclohexylidenemethyl)-1,3-oxazolidin-2-one has a molecular weight of 181.23 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylidenemethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 102490482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).