5-(cyclohexa-1,5-dien-1-ylmethyl)-3-ethyl-1,3-oxazolidin-2-one

C12H17NO2 — CID 70191226

IUPAC5-(cyclohexa-1,5-dien-1-ylmethyl)-3-ethyl-1,3-oxazolidin-2-one
SMILESCCN1CC(CC2=CCCC=C2)OC1=O
InChIInChI=1S/C12H17NO2/c1-2-13-9-11(15-12(13)14)8-10-6-4-3-5-7-10/h4,6-7,11H,2-3,5,8-9H2,1H3
InChIKeyQQCLYRMLJHGLOQ-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.49
Rot. Bonds3

About 5-(cyclohexa-1,5-dien-1-ylmethyl)-3-ethyl-1,3-oxazolidin-2-one

5-(cyclohexa-1,5-dien-1-ylmethyl)-3-ethyl-1,3-oxazolidin-2-one (PubChem CID 70191226) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 5-(cyclohexa-1,5-dien-1-ylmethyl)-3-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(cyclohexa-1,5-dien-1-ylmethyl)-3-ethyl-1,3-oxazolidin-2-one
PubChem CID70191226
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name5-(cyclohexa-1,5-dien-1-ylmethyl)-3-ethyl-1,3-oxazolidin-2-one
SMILESCCN1CC(CC2=CCCC=C2)OC1=O
InChIInChI=1S/C12H17NO2/c1-2-13-9-11(15-12(13)14)8-10-6-4-3-5-7-10/h4,6-7,11H,2-3,5,8-9H2,1H3
InChIKeyQQCLYRMLJHGLOQ-UHFFFAOYSA-N
XLogP2.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexa-1,5-dien-1-ylmethyl)-3-ethyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(cyclohexa-1,5-dien-1-ylmethyl)-3-ethyl-1,3-oxazolidin-2-one (CID 70191226) is 5-(cyclohexa-1,5-dien-1-ylmethyl)-3-ethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(cyclohexa-1,5-dien-1-ylmethyl)-3-ethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(cyclohexa-1,5-dien-1-ylmethyl)-3-ethyl-1,3-oxazolidin-2-one is CCN1CC(CC2=CCCC=C2)OC1=O.
What is the InChIKey of 5-(cyclohexa-1,5-dien-1-ylmethyl)-3-ethyl-1,3-oxazolidin-2-one?
The InChIKey is QQCLYRMLJHGLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-13-9-11(15-12(13)14)8-10-6-4-3-5-7-10/h4,6-7,11H,2-3,5,8-9H2,1H3.
What are the key properties of 5-(cyclohexa-1,5-dien-1-ylmethyl)-3-ethyl-1,3-oxazolidin-2-one?
5-(cyclohexa-1,5-dien-1-ylmethyl)-3-ethyl-1,3-oxazolidin-2-one has a molecular weight of 207.27 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexa-1,5-dien-1-ylmethyl)-3-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 70191226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).