2-[(E)-but-1-enyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine

C11H19NO — CID 121224267

IUPAC2-[(E)-but-1-enyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
SMILESCC/C=C/C1=NC(C)(C)CC(C)O1
InChIInChI=1S/C11H19NO/c1-5-6-7-10-12-11(3,4)8-9(2)13-10/h6-7,9H,5,8H2,1-4H3/b7-6+
InChIKeyHCFKNLRBRRNQMN-VOTSOKGWSA-N
MW181.28 g/mol
LogP2.94
Rot. Bonds2

About 2-[(E)-but-1-enyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine

2-[(E)-but-1-enyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine (PubChem CID 121224267) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-[(E)-but-1-enyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine.

Molecular Properties

Compound Name2-[(E)-but-1-enyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
PubChem CID121224267
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-[(E)-but-1-enyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
SMILESCC/C=C/C1=NC(C)(C)CC(C)O1
InChIInChI=1S/C11H19NO/c1-5-6-7-10-12-11(3,4)8-9(2)13-10/h6-7,9H,5,8H2,1-4H3/b7-6+
InChIKeyHCFKNLRBRRNQMN-VOTSOKGWSA-N
XLogP2.94
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-Dihydro-4,4,6-trimethyl-2-vinyl-4H-1,3-oxazine
CID 90992
2-[(Z)-hept-3-enyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
CID 134864013
(E)-1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)but-1-en-2-amine
CID 20481039
1-(4,4,6-Trimethyl-5,6-dihydro-4H-1,3-oxazin-2-yl)but-1-en-2-amine
CID 70526179
(6S)-2-ethenyl-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
CID 6931650
(6R)-2-ethenyl-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
CID 6931651
(Z)-1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)but-1-en-2-amine
CID 13326609

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-1-enyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine?
The IUPAC name of 2-[(E)-but-1-enyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine (CID 121224267) is 2-[(E)-but-1-enyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine.
What is the SMILES notation for 2-[(E)-but-1-enyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine?
The canonical SMILES for 2-[(E)-but-1-enyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine is CC/C=C/C1=NC(C)(C)CC(C)O1.
What is the InChIKey of 2-[(E)-but-1-enyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine?
The InChIKey is HCFKNLRBRRNQMN-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-6-7-10-12-11(3,4)8-9(2)13-10/h6-7,9H,5,8H2,1-4H3/b7-6+.
What are the key properties of 2-[(E)-but-1-enyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine?
2-[(E)-but-1-enyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine has a molecular weight of 181.28 g/mol, XLogP of 2.94, 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]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine is sourced from PubChem (CID 121224267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).