(4Z,5E)-4-ethylidene-5-(2-methylprop-2-enylidene)-1,2-oxazole;methane

C10H15NO — CID 143256468

IUPAC(4Z,5E)-4-ethylidene-5-(2-methylprop-2-enylidene)-1,2-oxazole;methane
SMILESC.C=C(C)/C=c1/onc/c1=C/C
InChIInChI=1S/C9H11NO.CH4/c1-4-8-6-10-11-9(8)5-7(2)3;/h4-6H,2H2,1,3H3;1H4/b8-4-,9-5+;
InChIKeyNGKVPEVKBANBIJ-UZKJHERWSA-N
MW165.24 g/mol
LogP1.47
Rot. Bonds1

About (4Z,5E)-4-ethylidene-5-(2-methylprop-2-enylidene)-1,2-oxazole;methane

(4Z,5E)-4-ethylidene-5-(2-methylprop-2-enylidene)-1,2-oxazole;methane (PubChem CID 143256468) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (4Z,5E)-4-ethylidene-5-(2-methylprop-2-enylidene)-1,2-oxazole;methane.

Molecular Properties

Compound Name(4Z,5E)-4-ethylidene-5-(2-methylprop-2-enylidene)-1,2-oxazole;methane
PubChem CID143256468
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(4Z,5E)-4-ethylidene-5-(2-methylprop-2-enylidene)-1,2-oxazole;methane
SMILESC.C=C(C)/C=c1/onc/c1=C/C
InChIInChI=1S/C9H11NO.CH4/c1-4-8-6-10-11-9(8)5-7(2)3;/h4-6H,2H2,1,3H3;1H4/b8-4-,9-5+;
InChIKeyNGKVPEVKBANBIJ-UZKJHERWSA-N
XLogP1.47
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-4-ethylidene-5-(2-methylprop-2-enylidene)-1,2-oxazole;methane?
The IUPAC name of (4Z,5E)-4-ethylidene-5-(2-methylprop-2-enylidene)-1,2-oxazole;methane (CID 143256468) is (4Z,5E)-4-ethylidene-5-(2-methylprop-2-enylidene)-1,2-oxazole;methane.
What is the SMILES notation for (4Z,5E)-4-ethylidene-5-(2-methylprop-2-enylidene)-1,2-oxazole;methane?
The canonical SMILES for (4Z,5E)-4-ethylidene-5-(2-methylprop-2-enylidene)-1,2-oxazole;methane is C.C=C(C)/C=c1/onc/c1=C/C.
What is the InChIKey of (4Z,5E)-4-ethylidene-5-(2-methylprop-2-enylidene)-1,2-oxazole;methane?
The InChIKey is NGKVPEVKBANBIJ-UZKJHERWSA-N. The full InChI is InChI=1S/C9H11NO.CH4/c1-4-8-6-10-11-9(8)5-7(2)3;/h4-6H,2H2,1,3H3;1H4/b8-4-,9-5+;.
What are the key properties of (4Z,5E)-4-ethylidene-5-(2-methylprop-2-enylidene)-1,2-oxazole;methane?
(4Z,5E)-4-ethylidene-5-(2-methylprop-2-enylidene)-1,2-oxazole;methane has a molecular weight of 165.24 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-4-ethylidene-5-(2-methylprop-2-enylidene)-1,2-oxazole;methane is sourced from PubChem (CID 143256468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).