(5Z,6E)-3-cyclohexa-2,4-dien-1-yl-5-ethylidene-6-prop-2-enylidene-1,3-oxazinane

C15H19NO — CID 139311618

IUPAC(5Z,6E)-3-cyclohexa-2,4-dien-1-yl-5-ethylidene-6-prop-2-enylidene-1,3-oxazinane
SMILESC=C/C=C1/OCN(C2C=CC=CC2)C/C1=C/C
InChIInChI=1S/C15H19NO/c1-3-8-15-13(4-2)11-16(12-17-15)14-9-6-5-7-10-14/h3-9,14H,1,10-12H2,2H3/b13-4-,15-8+
InChIKeyDRHZIFUIRHNOBX-RZNXWSPGSA-N
MW229.32 g/mol
LogP3.18
Rot. Bonds2

About (5Z,6E)-3-cyclohexa-2,4-dien-1-yl-5-ethylidene-6-prop-2-enylidene-1,3-oxazinane

(5Z,6E)-3-cyclohexa-2,4-dien-1-yl-5-ethylidene-6-prop-2-enylidene-1,3-oxazinane (PubChem CID 139311618) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (5Z,6E)-3-cyclohexa-2,4-dien-1-yl-5-ethylidene-6-prop-2-enylidene-1,3-oxazinane.

Molecular Properties

Compound Name(5Z,6E)-3-cyclohexa-2,4-dien-1-yl-5-ethylidene-6-prop-2-enylidene-1,3-oxazinane
PubChem CID139311618
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(5Z,6E)-3-cyclohexa-2,4-dien-1-yl-5-ethylidene-6-prop-2-enylidene-1,3-oxazinane
SMILESC=C/C=C1/OCN(C2C=CC=CC2)C/C1=C/C
InChIInChI=1S/C15H19NO/c1-3-8-15-13(4-2)11-16(12-17-15)14-9-6-5-7-10-14/h3-9,14H,1,10-12H2,2H3/b13-4-,15-8+
InChIKeyDRHZIFUIRHNOBX-RZNXWSPGSA-N
XLogP3.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z,6E)-3-cyclohexa-2,4-dien-1-yl-5-ethylidene-6-prop-2-enylidene-1,3-oxazinane?
The IUPAC name of (5Z,6E)-3-cyclohexa-2,4-dien-1-yl-5-ethylidene-6-prop-2-enylidene-1,3-oxazinane (CID 139311618) is (5Z,6E)-3-cyclohexa-2,4-dien-1-yl-5-ethylidene-6-prop-2-enylidene-1,3-oxazinane.
What is the SMILES notation for (5Z,6E)-3-cyclohexa-2,4-dien-1-yl-5-ethylidene-6-prop-2-enylidene-1,3-oxazinane?
The canonical SMILES for (5Z,6E)-3-cyclohexa-2,4-dien-1-yl-5-ethylidene-6-prop-2-enylidene-1,3-oxazinane is C=C/C=C1/OCN(C2C=CC=CC2)C/C1=C/C.
What is the InChIKey of (5Z,6E)-3-cyclohexa-2,4-dien-1-yl-5-ethylidene-6-prop-2-enylidene-1,3-oxazinane?
The InChIKey is DRHZIFUIRHNOBX-RZNXWSPGSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-8-15-13(4-2)11-16(12-17-15)14-9-6-5-7-10-14/h3-9,14H,1,10-12H2,2H3/b13-4-,15-8+.
What are the key properties of (5Z,6E)-3-cyclohexa-2,4-dien-1-yl-5-ethylidene-6-prop-2-enylidene-1,3-oxazinane?
(5Z,6E)-3-cyclohexa-2,4-dien-1-yl-5-ethylidene-6-prop-2-enylidene-1,3-oxazinane has a molecular weight of 229.32 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6E)-3-cyclohexa-2,4-dien-1-yl-5-ethylidene-6-prop-2-enylidene-1,3-oxazinane is sourced from PubChem (CID 139311618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).