ethane;(5Z)-6-methylidene-3-prop-2-enyl-5-prop-2-enylidene-1,3-oxazinane

C13H21NO — CID 145430745

IUPACethane;(5Z)-6-methylidene-3-prop-2-enyl-5-prop-2-enylidene-1,3-oxazinane
SMILESC=C/C=C1/CN(CC=C)COC1=C.CC
InChIInChI=1S/C11H15NO.C2H6/c1-4-6-11-8-12(7-5-2)9-13-10(11)3;1-2/h4-6H,1-3,7-9H2;1-2H3/b11-6-;
InChIKeyQOPBXYDNCVNNAN-AVHZNCSWSA-N
MW207.32 g/mol
LogP3.11
Rot. Bonds3

About ethane;(5Z)-6-methylidene-3-prop-2-enyl-5-prop-2-enylidene-1,3-oxazinane

ethane;(5Z)-6-methylidene-3-prop-2-enyl-5-prop-2-enylidene-1,3-oxazinane (PubChem CID 145430745) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is ethane;(5Z)-6-methylidene-3-prop-2-enyl-5-prop-2-enylidene-1,3-oxazinane.

Molecular Properties

Compound Nameethane;(5Z)-6-methylidene-3-prop-2-enyl-5-prop-2-enylidene-1,3-oxazinane
PubChem CID145430745
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Nameethane;(5Z)-6-methylidene-3-prop-2-enyl-5-prop-2-enylidene-1,3-oxazinane
SMILESC=C/C=C1/CN(CC=C)COC1=C.CC
InChIInChI=1S/C11H15NO.C2H6/c1-4-6-11-8-12(7-5-2)9-13-10(11)3;1-2/h4-6H,1-3,7-9H2;1-2H3/b11-6-;
InChIKeyQOPBXYDNCVNNAN-AVHZNCSWSA-N
XLogP3.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethane;(5Z)-6-methylidene-3-prop-2-enyl-5-prop-2-enylidene-1,3-oxazinane with MolForge

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Related Compounds

1-(2-Ethenyl-4-methoxypenta-2,4-dienyl)-4-prop-2-ynylpiperazine
CID 123482085
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
3-tert-butyl-5-methyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine
CID 132132114
(5Z,6E)-3-cyclohexa-2,4-dien-1-yl-5-ethylidene-6-prop-2-enylidene-1,3-oxazinane
CID 139311618
(6E)-5-methylidene-3-prop-2-enyl-6-prop-2-enylidene-1,3-oxazinane
CID 143479832
ethane;(5Z,6E)-5-ethylidene-3-methyl-6-prop-2-enylidene-1,3-oxazinane
CID 143508035
(5Z,6E)-5-ethylidene-3-methyl-6-prop-2-enylidene-1,3-oxazinane
CID 143508036
3-(ethenoxymethyl)-6-methyl-4,6-dihydro-2H-cyclohepta[e][1,3]oxazine
CID 143811767
(2E)-2-ethenyl-N,N-diethyl-4-methoxypenta-2,4-dien-1-amine
CID 143866583
5-ethyl-3-methyl-6-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine
CID 143940182
ethane;1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine
CID 143999016

Frequently Asked Questions

What is the IUPAC name of ethane;(5Z)-6-methylidene-3-prop-2-enyl-5-prop-2-enylidene-1,3-oxazinane?
The IUPAC name of ethane;(5Z)-6-methylidene-3-prop-2-enyl-5-prop-2-enylidene-1,3-oxazinane (CID 145430745) is ethane;(5Z)-6-methylidene-3-prop-2-enyl-5-prop-2-enylidene-1,3-oxazinane.
What is the SMILES notation for ethane;(5Z)-6-methylidene-3-prop-2-enyl-5-prop-2-enylidene-1,3-oxazinane?
The canonical SMILES for ethane;(5Z)-6-methylidene-3-prop-2-enyl-5-prop-2-enylidene-1,3-oxazinane is C=C/C=C1/CN(CC=C)COC1=C.CC.
What is the InChIKey of ethane;(5Z)-6-methylidene-3-prop-2-enyl-5-prop-2-enylidene-1,3-oxazinane?
The InChIKey is QOPBXYDNCVNNAN-AVHZNCSWSA-N. The full InChI is InChI=1S/C11H15NO.C2H6/c1-4-6-11-8-12(7-5-2)9-13-10(11)3;1-2/h4-6H,1-3,7-9H2;1-2H3/b11-6-;.
What are the key properties of ethane;(5Z)-6-methylidene-3-prop-2-enyl-5-prop-2-enylidene-1,3-oxazinane?
ethane;(5Z)-6-methylidene-3-prop-2-enyl-5-prop-2-enylidene-1,3-oxazinane has a molecular weight of 207.32 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z)-6-methylidene-3-prop-2-enyl-5-prop-2-enylidene-1,3-oxazinane is sourced from PubChem (CID 145430745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).