ethane;(5Z,6E)-5-ethylidene-3-methyl-6-prop-2-enylidene-1,3-oxazinane

C12H21NO — CID 143508035

IUPACethane;(5Z,6E)-5-ethylidene-3-methyl-6-prop-2-enylidene-1,3-oxazinane
SMILESC=C/C=C1/OCN(C)C/C1=C/C.CC
InChIInChI=1S/C10H15NO.C2H6/c1-4-6-10-9(5-2)7-11(3)8-12-10;1-2/h4-6H,1,7-8H2,2-3H3;1-2H3/b9-5-,10-6+;
InChIKeyHPNOUXLHFADVKE-KSTRYXAPSA-N
MW195.31 g/mol
LogP2.95
Rot. Bonds1

About ethane;(5Z,6E)-5-ethylidene-3-methyl-6-prop-2-enylidene-1,3-oxazinane

ethane;(5Z,6E)-5-ethylidene-3-methyl-6-prop-2-enylidene-1,3-oxazinane (PubChem CID 143508035) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is ethane;(5Z,6E)-5-ethylidene-3-methyl-6-prop-2-enylidene-1,3-oxazinane.

Molecular Properties

Compound Nameethane;(5Z,6E)-5-ethylidene-3-methyl-6-prop-2-enylidene-1,3-oxazinane
PubChem CID143508035
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Nameethane;(5Z,6E)-5-ethylidene-3-methyl-6-prop-2-enylidene-1,3-oxazinane
SMILESC=C/C=C1/OCN(C)C/C1=C/C.CC
InChIInChI=1S/C10H15NO.C2H6/c1-4-6-10-9(5-2)7-11(3)8-12-10;1-2/h4-6H,1,7-8H2,2-3H3;1-2H3/b9-5-,10-6+;
InChIKeyHPNOUXLHFADVKE-KSTRYXAPSA-N
XLogP2.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

lithium 1-(3-methoxybenzene-2-id-1-yl)-N,N-dimethylmethanamine
CID 176428131
(2E,4Z)-N-ethyl-4-methoxy-N,6,7-trimethylocta-2,4,6-trien-1-amine
CID 54571566
6-[(1Z)-buta-1,3-dienyl]-3-methyl-5-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine
CID 130413521
(6E)-6-ethylidene-5-methylidene-3-propyl-1,3-oxazinane
CID 132091953
(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
3,7,7-Trimethyl-2,4-dihydrocyclohepta[e][1,3]oxazine
CID 138480657
(6E)-6-[(Z)-but-2-enylidene]-5-methylidene-1,3-oxazinane
CID 138646483
3-methyl-7-(methyldisulfanyl)-4,6-dihydro-2H-cyclohepta[e][1,3]oxazine
CID 139308502
3-methyl-4,8-dihydro-2H-cyclohepta[e][1,3]oxazine-6-thiol
CID 139308944
(5Z,6E)-3-cyclohexa-2,4-dien-1-yl-5-ethylidene-6-prop-2-enylidene-1,3-oxazinane
CID 139311618
(6E)-6-[(2Z)-penta-2,4-dienylidene]-5-propan-2-ylidene-1,3-oxazinane
CID 139458884

Frequently Asked Questions

What is the IUPAC name of ethane;(5Z,6E)-5-ethylidene-3-methyl-6-prop-2-enylidene-1,3-oxazinane?
The IUPAC name of ethane;(5Z,6E)-5-ethylidene-3-methyl-6-prop-2-enylidene-1,3-oxazinane (CID 143508035) is ethane;(5Z,6E)-5-ethylidene-3-methyl-6-prop-2-enylidene-1,3-oxazinane.
What is the SMILES notation for ethane;(5Z,6E)-5-ethylidene-3-methyl-6-prop-2-enylidene-1,3-oxazinane?
The canonical SMILES for ethane;(5Z,6E)-5-ethylidene-3-methyl-6-prop-2-enylidene-1,3-oxazinane is C=C/C=C1/OCN(C)C/C1=C/C.CC.
What is the InChIKey of ethane;(5Z,6E)-5-ethylidene-3-methyl-6-prop-2-enylidene-1,3-oxazinane?
The InChIKey is HPNOUXLHFADVKE-KSTRYXAPSA-N. The full InChI is InChI=1S/C10H15NO.C2H6/c1-4-6-10-9(5-2)7-11(3)8-12-10;1-2/h4-6H,1,7-8H2,2-3H3;1-2H3/b9-5-,10-6+;.
What are the key properties of ethane;(5Z,6E)-5-ethylidene-3-methyl-6-prop-2-enylidene-1,3-oxazinane?
ethane;(5Z,6E)-5-ethylidene-3-methyl-6-prop-2-enylidene-1,3-oxazinane has a molecular weight of 195.31 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z,6E)-5-ethylidene-3-methyl-6-prop-2-enylidene-1,3-oxazinane is sourced from PubChem (CID 143508035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).