ethane;(4E,5E)-3-methyl-4,5-bis(prop-2-enylidene)-1,3-oxazolidin-2-one

C12H17NO2 — CID 171627497

IUPACethane;(4E,5E)-3-methyl-4,5-bis(prop-2-enylidene)-1,3-oxazolidin-2-one
SMILESC=C/C=c1/oc(=O)n(C)/c1=C/C=C.CC
InChIInChI=1S/C10H11NO2.C2H6/c1-4-6-8-9(7-5-2)13-10(12)11(8)3;1-2/h4-7H,1-2H2,3H3;1-2H3/b8-6+,9-7+;
InChIKeyYPWOJACQIKQYAL-SLGVWIAZSA-N
MW207.27 g/mol
LogP0.94
Rot. Bonds2

About ethane;(4E,5E)-3-methyl-4,5-bis(prop-2-enylidene)-1,3-oxazolidin-2-one

ethane;(4E,5E)-3-methyl-4,5-bis(prop-2-enylidene)-1,3-oxazolidin-2-one (PubChem CID 171627497) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is ethane;(4E,5E)-3-methyl-4,5-bis(prop-2-enylidene)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Nameethane;(4E,5E)-3-methyl-4,5-bis(prop-2-enylidene)-1,3-oxazolidin-2-one
PubChem CID171627497
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Nameethane;(4E,5E)-3-methyl-4,5-bis(prop-2-enylidene)-1,3-oxazolidin-2-one
SMILESC=C/C=c1/oc(=O)n(C)/c1=C/C=C.CC
InChIInChI=1S/C10H11NO2.C2H6/c1-4-6-8-9(7-5-2)13-10(12)11(8)3;1-2/h4-7H,1-2H2,3H3;1-2H3/b8-6+,9-7+;
InChIKeyYPWOJACQIKQYAL-SLGVWIAZSA-N
XLogP0.94
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;(4E,5E)-3-methyl-4,5-bis(prop-2-enylidene)-1,3-oxazolidin-2-one?
The IUPAC name of ethane;(4E,5E)-3-methyl-4,5-bis(prop-2-enylidene)-1,3-oxazolidin-2-one (CID 171627497) is ethane;(4E,5E)-3-methyl-4,5-bis(prop-2-enylidene)-1,3-oxazolidin-2-one.
What is the SMILES notation for ethane;(4E,5E)-3-methyl-4,5-bis(prop-2-enylidene)-1,3-oxazolidin-2-one?
The canonical SMILES for ethane;(4E,5E)-3-methyl-4,5-bis(prop-2-enylidene)-1,3-oxazolidin-2-one is C=C/C=c1/oc(=O)n(C)/c1=C/C=C.CC.
What is the InChIKey of ethane;(4E,5E)-3-methyl-4,5-bis(prop-2-enylidene)-1,3-oxazolidin-2-one?
The InChIKey is YPWOJACQIKQYAL-SLGVWIAZSA-N. The full InChI is InChI=1S/C10H11NO2.C2H6/c1-4-6-8-9(7-5-2)13-10(12)11(8)3;1-2/h4-7H,1-2H2,3H3;1-2H3/b8-6+,9-7+;.
What are the key properties of ethane;(4E,5E)-3-methyl-4,5-bis(prop-2-enylidene)-1,3-oxazolidin-2-one?
ethane;(4E,5E)-3-methyl-4,5-bis(prop-2-enylidene)-1,3-oxazolidin-2-one has a molecular weight of 207.27 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E,5E)-3-methyl-4,5-bis(prop-2-enylidene)-1,3-oxazolidin-2-one is sourced from PubChem (CID 171627497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).