(2E,3E)-3-prop-2-enylidene-2-propylidene-4H-1,4-oxazine

C10H13NO — CID 143195765

IUPAC(2E,3E)-3-prop-2-enylidene-2-propylidene-4H-1,4-oxazine
SMILESC=C/C=C1/NC=CO/C1=C/CC
InChIInChI=1S/C10H13NO/c1-3-5-9-10(6-4-2)12-8-7-11-9/h3,5-8,11H,1,4H2,2H3/b9-5+,10-6+
InChIKeyISLSPRRNQWYPQM-NXZHAISVSA-N
MW163.22 g/mol
LogP2.44
Rot. Bonds2

About (2E,3E)-3-prop-2-enylidene-2-propylidene-4H-1,4-oxazine

(2E,3E)-3-prop-2-enylidene-2-propylidene-4H-1,4-oxazine (PubChem CID 143195765) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (2E,3E)-3-prop-2-enylidene-2-propylidene-4H-1,4-oxazine.

Molecular Properties

Compound Name(2E,3E)-3-prop-2-enylidene-2-propylidene-4H-1,4-oxazine
PubChem CID143195765
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(2E,3E)-3-prop-2-enylidene-2-propylidene-4H-1,4-oxazine
SMILESC=C/C=C1/NC=CO/C1=C/CC
InChIInChI=1S/C10H13NO/c1-3-5-9-10(6-4-2)12-8-7-11-9/h3,5-8,11H,1,4H2,2H3/b9-5+,10-6+
InChIKeyISLSPRRNQWYPQM-NXZHAISVSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E,3E)-3-prop-2-enylidene-2-propylidene-4H-1,4-oxazine?
The IUPAC name of (2E,3E)-3-prop-2-enylidene-2-propylidene-4H-1,4-oxazine (CID 143195765) is (2E,3E)-3-prop-2-enylidene-2-propylidene-4H-1,4-oxazine.
What is the SMILES notation for (2E,3E)-3-prop-2-enylidene-2-propylidene-4H-1,4-oxazine?
The canonical SMILES for (2E,3E)-3-prop-2-enylidene-2-propylidene-4H-1,4-oxazine is C=C/C=C1/NC=CO/C1=C/CC.
What is the InChIKey of (2E,3E)-3-prop-2-enylidene-2-propylidene-4H-1,4-oxazine?
The InChIKey is ISLSPRRNQWYPQM-NXZHAISVSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-5-9-10(6-4-2)12-8-7-11-9/h3,5-8,11H,1,4H2,2H3/b9-5+,10-6+.
What are the key properties of (2E,3E)-3-prop-2-enylidene-2-propylidene-4H-1,4-oxazine?
(2E,3E)-3-prop-2-enylidene-2-propylidene-4H-1,4-oxazine has a molecular weight of 163.22 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-3-prop-2-enylidene-2-propylidene-4H-1,4-oxazine is sourced from PubChem (CID 143195765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).