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'}

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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).