(6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane;ethane

C11H19NO — CID 142277048

IUPAC(6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane;ethane
SMILESC=C1CNCO/C1=C/C=C\C.CC
InChIInChI=1S/C9H13NO.C2H6/c1-3-4-5-9-8(2)6-10-7-11-9;1-2/h3-5,10H,2,6-7H2,1H3;1-2H3/b4-3-,9-5+;
InChIKeyQPOIIGBUYZNMGL-PIJLWJNCSA-N
MW181.28 g/mol
LogP2.61
Rot. Bonds1

About (6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane;ethane

(6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane;ethane (PubChem CID 142277048) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane;ethane.

Molecular Properties

Compound Name(6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane;ethane
PubChem CID142277048
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane;ethane
SMILESC=C1CNCO/C1=C/C=C\C.CC
InChIInChI=1S/C9H13NO.C2H6/c1-3-4-5-9-8(2)6-10-7-11-9;1-2/h3-5,10H,2,6-7H2,1H3;1-2H3/b4-3-,9-5+;
InChIKeyQPOIIGBUYZNMGL-PIJLWJNCSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3Z,5E)-5-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine
CID 88576747
3,4,6,7-tetrahydro-2H-1,3-benzoxazine
CID 123762032
N-(2-ethylpenta-2,4-dienyl)-3,4-dimethoxy-2-methylidenehex-3-en-1-amine
CID 123882157
(6E)-6-ethylidene-5-methylidene-3-propyl-1,3-oxazinane
CID 132091953
5,6-bis[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,3-oxazine
CID 134220357
(5Z,6E)-5-ethylidene-6-prop-2-enylidene-1,3-oxazinane
CID 137487501
(5Z,6E)-6-ethylidene-5-prop-2-enylidene-1,3-oxazinane
CID 137487544
(6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane
CID 138646483
(6E)-6-[(2Z)-penta-2,4-dienylidene]-5-propan-2-ylidene-1,3-oxazinane
CID 139458884
ethane;2-methylidene-4,7-dihydro-3H-cyclohepta[e][1,3]oxazine
CID 142074060
(2E,3E)-2-ethylidene-4-methoxy-N-methylhexa-3,5-dien-1-amine
CID 142152851
(2E,3Z)-2-ethylidene-5-methoxy-N-methylhexa-3,5-dien-1-amine
CID 142207266

Frequently Asked Questions

What is the IUPAC name of (6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane;ethane?
The IUPAC name of (6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane;ethane (CID 142277048) is (6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane;ethane.
What is the SMILES notation for (6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane;ethane?
The canonical SMILES for (6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane;ethane is C=C1CNCO/C1=C/C=C\C.CC.
What is the InChIKey of (6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane;ethane?
The InChIKey is QPOIIGBUYZNMGL-PIJLWJNCSA-N. The full InChI is InChI=1S/C9H13NO.C2H6/c1-3-4-5-9-8(2)6-10-7-11-9;1-2/h3-5,10H,2,6-7H2,1H3;1-2H3/b4-3-,9-5+;.
What are the key properties of (6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane;ethane?
(6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane;ethane has a molecular weight of 181.28 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane;ethane is sourced from PubChem (CID 142277048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).