(4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-oxazole

C9H11NO — CID 145224833

IUPAC(4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-oxazole
SMILESC=C/C=c1/nco/c1=C/CC
InChIInChI=1S/C9H11NO/c1-3-5-8-9(6-4-2)11-7-10-8/h3,5-7H,1,4H2,2H3/b8-5+,9-6+
InChIKeyOBSBFZSLVMVVAX-XVYDYJIPSA-N
MW149.19 g/mol
LogP0.83
Rot. Bonds2

About (4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-oxazole

(4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-oxazole (PubChem CID 145224833) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is (4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-oxazole.

Molecular Properties

Compound Name(4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-oxazole
PubChem CID145224833
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name(4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-oxazole
SMILESC=C/C=c1/nco/c1=C/CC
InChIInChI=1S/C9H11NO/c1-3-5-8-9(6-4-2)11-7-10-8/h3,5-7H,1,4H2,2H3/b8-5+,9-6+
InChIKeyOBSBFZSLVMVVAX-XVYDYJIPSA-N
XLogP0.83
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-oxazole?
The IUPAC name of (4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-oxazole (CID 145224833) is (4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-oxazole.
What is the SMILES notation for (4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-oxazole?
The canonical SMILES for (4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-oxazole is C=C/C=c1/nco/c1=C/CC.
What is the InChIKey of (4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-oxazole?
The InChIKey is OBSBFZSLVMVVAX-XVYDYJIPSA-N. The full InChI is InChI=1S/C9H11NO/c1-3-5-8-9(6-4-2)11-7-10-8/h3,5-7H,1,4H2,2H3/b8-5+,9-6+.
What are the key properties of (4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-oxazole?
(4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-oxazole has a molecular weight of 149.19 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-oxazole is sourced from PubChem (CID 145224833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).