3,6-dihydro-2H-1,3-oxazine;ethane

C6H13NO — CID 144913832

IUPAC3,6-dihydro-2H-1,3-oxazine;ethane
SMILESC1=CNCOC1.CC
InChIInChI=1S/C4H7NO.C2H6/c1-2-5-4-6-3-1;1-2/h1-2,5H,3-4H2;1-2H3
InChIKeyWEELIHRMOPCNOQ-UHFFFAOYSA-N
MW115.18 g/mol
LogP1.10
Rot. Bonds

About 3,6-dihydro-2H-1,3-oxazine;ethane

3,6-dihydro-2H-1,3-oxazine;ethane (PubChem CID 144913832) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 3,6-dihydro-2H-1,3-oxazine;ethane.

Molecular Properties

Compound Name3,6-dihydro-2H-1,3-oxazine;ethane
PubChem CID144913832
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name3,6-dihydro-2H-1,3-oxazine;ethane
SMILESC1=CNCOC1.CC
InChIInChI=1S/C4H7NO.C2H6/c1-2-5-4-6-3-1;1-2/h1-2,5H,3-4H2;1-2H3
InChIKeyWEELIHRMOPCNOQ-UHFFFAOYSA-N
XLogP1.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-1,3-oxazine;ethane?
The IUPAC name of 3,6-dihydro-2H-1,3-oxazine;ethane (CID 144913832) is 3,6-dihydro-2H-1,3-oxazine;ethane.
What is the SMILES notation for 3,6-dihydro-2H-1,3-oxazine;ethane?
The canonical SMILES for 3,6-dihydro-2H-1,3-oxazine;ethane is C1=CNCOC1.CC.
What is the InChIKey of 3,6-dihydro-2H-1,3-oxazine;ethane?
The InChIKey is WEELIHRMOPCNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C2H6/c1-2-5-4-6-3-1;1-2/h1-2,5H,3-4H2;1-2H3.
What are the key properties of 3,6-dihydro-2H-1,3-oxazine;ethane?
3,6-dihydro-2H-1,3-oxazine;ethane has a molecular weight of 115.18 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-1,3-oxazine;ethane is sourced from PubChem (CID 144913832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).