2-[(E)-but-1-enyl]-5-methyl-5,6-dihydro-4H-1,3-oxazine;ethane

C11H21NO — CID 143798083

IUPAC2-[(E)-but-1-enyl]-5-methyl-5,6-dihydro-4H-1,3-oxazine;ethane
SMILESCC.CC/C=C/C1=NCC(C)CO1
InChIInChI=1S/C9H15NO.C2H6/c1-3-4-5-9-10-6-8(2)7-11-9;1-2/h4-5,8H,3,6-7H2,1-2H3;1-2H3/b5-4+;
InChIKeyLOTHFWNXAMFTIH-FXRZFVDSSA-N
MW183.29 g/mol
LogP3.04
Rot. Bonds2

About 2-[(E)-but-1-enyl]-5-methyl-5,6-dihydro-4H-1,3-oxazine;ethane

2-[(E)-but-1-enyl]-5-methyl-5,6-dihydro-4H-1,3-oxazine;ethane (PubChem CID 143798083) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-[(E)-but-1-enyl]-5-methyl-5,6-dihydro-4H-1,3-oxazine;ethane.

Molecular Properties

Compound Name2-[(E)-but-1-enyl]-5-methyl-5,6-dihydro-4H-1,3-oxazine;ethane
PubChem CID143798083
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-[(E)-but-1-enyl]-5-methyl-5,6-dihydro-4H-1,3-oxazine;ethane
SMILESCC.CC/C=C/C1=NCC(C)CO1
InChIInChI=1S/C9H15NO.C2H6/c1-3-4-5-9-10-6-8(2)7-11-9;1-2/h4-5,8H,3,6-7H2,1-2H3;1-2H3/b5-4+;
InChIKeyLOTHFWNXAMFTIH-FXRZFVDSSA-N
XLogP3.04
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-1-enyl]-5-methyl-5,6-dihydro-4H-1,3-oxazine;ethane?
The IUPAC name of 2-[(E)-but-1-enyl]-5-methyl-5,6-dihydro-4H-1,3-oxazine;ethane (CID 143798083) is 2-[(E)-but-1-enyl]-5-methyl-5,6-dihydro-4H-1,3-oxazine;ethane.
What is the SMILES notation for 2-[(E)-but-1-enyl]-5-methyl-5,6-dihydro-4H-1,3-oxazine;ethane?
The canonical SMILES for 2-[(E)-but-1-enyl]-5-methyl-5,6-dihydro-4H-1,3-oxazine;ethane is CC.CC/C=C/C1=NCC(C)CO1.
What is the InChIKey of 2-[(E)-but-1-enyl]-5-methyl-5,6-dihydro-4H-1,3-oxazine;ethane?
The InChIKey is LOTHFWNXAMFTIH-FXRZFVDSSA-N. The full InChI is InChI=1S/C9H15NO.C2H6/c1-3-4-5-9-10-6-8(2)7-11-9;1-2/h4-5,8H,3,6-7H2,1-2H3;1-2H3/b5-4+;.
What are the key properties of 2-[(E)-but-1-enyl]-5-methyl-5,6-dihydro-4H-1,3-oxazine;ethane?
2-[(E)-but-1-enyl]-5-methyl-5,6-dihydro-4H-1,3-oxazine;ethane has a molecular weight of 183.29 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-1-enyl]-5-methyl-5,6-dihydro-4H-1,3-oxazine;ethane is sourced from PubChem (CID 143798083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).