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

C11H15NO — CID 145430746

IUPAC(5Z)-6-methylidene-3-prop-2-enyl-5-prop-2-enylidene-1,3-oxazinane
SMILESC=C/C=C1/CN(CC=C)COC1=C
InChIInChI=1S/C11H15NO/c1-4-6-11-8-12(7-5-2)9-13-10(11)3/h4-6H,1-3,7-9H2/b11-6-
InChIKeyQJSYCURSEZHIGP-WDZFZDKYSA-N
MW177.25 g/mol
LogP2.09
Rot. Bonds3

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

(5Z)-6-methylidene-3-prop-2-enyl-5-prop-2-enylidene-1,3-oxazinane (PubChem CID 145430746) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (5Z)-6-methylidene-3-prop-2-enyl-5-prop-2-enylidene-1,3-oxazinane.

Molecular Properties

Compound Name(5Z)-6-methylidene-3-prop-2-enyl-5-prop-2-enylidene-1,3-oxazinane
PubChem CID145430746
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(5Z)-6-methylidene-3-prop-2-enyl-5-prop-2-enylidene-1,3-oxazinane
SMILESC=C/C=C1/CN(CC=C)COC1=C
InChIInChI=1S/C11H15NO/c1-4-6-11-8-12(7-5-2)9-13-10(11)3/h4-6H,1-3,7-9H2/b11-6-
InChIKeyQJSYCURSEZHIGP-WDZFZDKYSA-N
XLogP2.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.09
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 (5Z)-6-methylidene-3-prop-2-enyl-5-prop-2-enylidene-1,3-oxazinane?
The IUPAC name of (5Z)-6-methylidene-3-prop-2-enyl-5-prop-2-enylidene-1,3-oxazinane (CID 145430746) is (5Z)-6-methylidene-3-prop-2-enyl-5-prop-2-enylidene-1,3-oxazinane.
What is the SMILES notation for (5Z)-6-methylidene-3-prop-2-enyl-5-prop-2-enylidene-1,3-oxazinane?
The canonical SMILES for (5Z)-6-methylidene-3-prop-2-enyl-5-prop-2-enylidene-1,3-oxazinane is C=C/C=C1/CN(CC=C)COC1=C.
What is the InChIKey of (5Z)-6-methylidene-3-prop-2-enyl-5-prop-2-enylidene-1,3-oxazinane?
The InChIKey is QJSYCURSEZHIGP-WDZFZDKYSA-N. The full InChI is InChI=1S/C11H15NO/c1-4-6-11-8-12(7-5-2)9-13-10(11)3/h4-6H,1-3,7-9H2/b11-6-.
What are the key properties of (5Z)-6-methylidene-3-prop-2-enyl-5-prop-2-enylidene-1,3-oxazinane?
(5Z)-6-methylidene-3-prop-2-enyl-5-prop-2-enylidene-1,3-oxazinane has a molecular weight of 177.25 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-6-methylidene-3-prop-2-enyl-5-prop-2-enylidene-1,3-oxazinane is sourced from PubChem (CID 145430746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).