(4E,5E)-4-ethylidene-3-methyl-5-prop-2-enylidene-1,3-oxazolidine

C9H13NO — CID 130239800

IUPAC(4E,5E)-4-ethylidene-3-methyl-5-prop-2-enylidene-1,3-oxazolidine
SMILESC=C/C=C1/OCN(C)/C1=C/C
InChIInChI=1S/C9H13NO/c1-4-6-9-8(5-2)10(3)7-11-9/h4-6H,1,7H2,2-3H3/b8-5+,9-6+
InChIKeyRJCVRXCWRFXSOW-XVYDYJIPSA-N
MW151.21 g/mol
LogP1.88
Rot. Bonds1

About (4E,5E)-4-ethylidene-3-methyl-5-prop-2-enylidene-1,3-oxazolidine

(4E,5E)-4-ethylidene-3-methyl-5-prop-2-enylidene-1,3-oxazolidine (PubChem CID 130239800) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (4E,5E)-4-ethylidene-3-methyl-5-prop-2-enylidene-1,3-oxazolidine.

Molecular Properties

Compound Name(4E,5E)-4-ethylidene-3-methyl-5-prop-2-enylidene-1,3-oxazolidine
PubChem CID130239800
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(4E,5E)-4-ethylidene-3-methyl-5-prop-2-enylidene-1,3-oxazolidine
SMILESC=C/C=C1/OCN(C)/C1=C/C
InChIInChI=1S/C9H13NO/c1-4-6-9-8(5-2)10(3)7-11-9/h4-6H,1,7H2,2-3H3/b8-5+,9-6+
InChIKeyRJCVRXCWRFXSOW-XVYDYJIPSA-N
XLogP1.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4-ethylidene-3-methyl-5-prop-2-enylidene-1,3-oxazolidine?
The IUPAC name of (4E,5E)-4-ethylidene-3-methyl-5-prop-2-enylidene-1,3-oxazolidine (CID 130239800) is (4E,5E)-4-ethylidene-3-methyl-5-prop-2-enylidene-1,3-oxazolidine.
What is the SMILES notation for (4E,5E)-4-ethylidene-3-methyl-5-prop-2-enylidene-1,3-oxazolidine?
The canonical SMILES for (4E,5E)-4-ethylidene-3-methyl-5-prop-2-enylidene-1,3-oxazolidine is C=C/C=C1/OCN(C)/C1=C/C.
What is the InChIKey of (4E,5E)-4-ethylidene-3-methyl-5-prop-2-enylidene-1,3-oxazolidine?
The InChIKey is RJCVRXCWRFXSOW-XVYDYJIPSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-6-9-8(5-2)10(3)7-11-9/h4-6H,1,7H2,2-3H3/b8-5+,9-6+.
What are the key properties of (4E,5E)-4-ethylidene-3-methyl-5-prop-2-enylidene-1,3-oxazolidine?
(4E,5E)-4-ethylidene-3-methyl-5-prop-2-enylidene-1,3-oxazolidine has a molecular weight of 151.21 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-ethylidene-3-methyl-5-prop-2-enylidene-1,3-oxazolidine is sourced from PubChem (CID 130239800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).