2-ethylidene-5-methyl-1,3-oxazolidine

C6H11NO — CID 174906636

IUPAC2-ethylidene-5-methyl-1,3-oxazolidine
SMILESCC=C1NCC(C)O1
InChIInChI=1S/C6H11NO/c1-3-6-7-4-5(2)8-6/h3,5,7H,4H2,1-2H3
InChIKeyQCMBSOGHCDKHHC-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.86
Rot. Bonds

About 2-ethylidene-5-methyl-1,3-oxazolidine

2-ethylidene-5-methyl-1,3-oxazolidine (PubChem CID 174906636) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-ethylidene-5-methyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-ethylidene-5-methyl-1,3-oxazolidine
PubChem CID174906636
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-ethylidene-5-methyl-1,3-oxazolidine
SMILESCC=C1NCC(C)O1
InChIInChI=1S/C6H11NO/c1-3-6-7-4-5(2)8-6/h3,5,7H,4H2,1-2H3
InChIKeyQCMBSOGHCDKHHC-UHFFFAOYSA-N
XLogP0.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-5-methyl-1,3-oxazolidine?
The IUPAC name of 2-ethylidene-5-methyl-1,3-oxazolidine (CID 174906636) is 2-ethylidene-5-methyl-1,3-oxazolidine.
What is the SMILES notation for 2-ethylidene-5-methyl-1,3-oxazolidine?
The canonical SMILES for 2-ethylidene-5-methyl-1,3-oxazolidine is CC=C1NCC(C)O1.
What is the InChIKey of 2-ethylidene-5-methyl-1,3-oxazolidine?
The InChIKey is QCMBSOGHCDKHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-3-6-7-4-5(2)8-6/h3,5,7H,4H2,1-2H3.
What are the key properties of 2-ethylidene-5-methyl-1,3-oxazolidine?
2-ethylidene-5-methyl-1,3-oxazolidine has a molecular weight of 113.16 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-5-methyl-1,3-oxazolidine is sourced from PubChem (CID 174906636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).