ethane;(4Z,5E)-5-ethylidene-4-(1-methoxyprop-2-enylidene)-1,3-oxazolidin-2-one

C11H17NO3 — CID 143663545

IUPACethane;(4Z,5E)-5-ethylidene-4-(1-methoxyprop-2-enylidene)-1,3-oxazolidin-2-one
SMILESC=C/C(OC)=c1/[nH]c(=O)o/c1=C/C.CC
InChIInChI=1S/C9H11NO3.C2H6/c1-4-6(12-3)8-7(5-2)13-9(11)10-8;1-2/h4-5H,1H2,2-3H3,(H,10,11);1-2H3/b7-5+,8-6-;
InChIKeyNYUCBSCNDQZSTH-LFNVCNNASA-N
MW211.26 g/mol
LogP0.74
Rot. Bonds2

About ethane;(4Z,5E)-5-ethylidene-4-(1-methoxyprop-2-enylidene)-1,3-oxazolidin-2-one

ethane;(4Z,5E)-5-ethylidene-4-(1-methoxyprop-2-enylidene)-1,3-oxazolidin-2-one (PubChem CID 143663545) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethane;(4Z,5E)-5-ethylidene-4-(1-methoxyprop-2-enylidene)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Nameethane;(4Z,5E)-5-ethylidene-4-(1-methoxyprop-2-enylidene)-1,3-oxazolidin-2-one
PubChem CID143663545
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nameethane;(4Z,5E)-5-ethylidene-4-(1-methoxyprop-2-enylidene)-1,3-oxazolidin-2-one
SMILESC=C/C(OC)=c1/[nH]c(=O)o/c1=C/C.CC
InChIInChI=1S/C9H11NO3.C2H6/c1-4-6(12-3)8-7(5-2)13-9(11)10-8;1-2/h4-5H,1H2,2-3H3,(H,10,11);1-2H3/b7-5+,8-6-;
InChIKeyNYUCBSCNDQZSTH-LFNVCNNASA-N
XLogP0.74
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;(4Z,5E)-5-ethylidene-4-(1-methoxyprop-2-enylidene)-1,3-oxazolidin-2-one?
The IUPAC name of ethane;(4Z,5E)-5-ethylidene-4-(1-methoxyprop-2-enylidene)-1,3-oxazolidin-2-one (CID 143663545) is ethane;(4Z,5E)-5-ethylidene-4-(1-methoxyprop-2-enylidene)-1,3-oxazolidin-2-one.
What is the SMILES notation for ethane;(4Z,5E)-5-ethylidene-4-(1-methoxyprop-2-enylidene)-1,3-oxazolidin-2-one?
The canonical SMILES for ethane;(4Z,5E)-5-ethylidene-4-(1-methoxyprop-2-enylidene)-1,3-oxazolidin-2-one is C=C/C(OC)=c1/[nH]c(=O)o/c1=C/C.CC.
What is the InChIKey of ethane;(4Z,5E)-5-ethylidene-4-(1-methoxyprop-2-enylidene)-1,3-oxazolidin-2-one?
The InChIKey is NYUCBSCNDQZSTH-LFNVCNNASA-N. The full InChI is InChI=1S/C9H11NO3.C2H6/c1-4-6(12-3)8-7(5-2)13-9(11)10-8;1-2/h4-5H,1H2,2-3H3,(H,10,11);1-2H3/b7-5+,8-6-;.
What are the key properties of ethane;(4Z,5E)-5-ethylidene-4-(1-methoxyprop-2-enylidene)-1,3-oxazolidin-2-one?
ethane;(4Z,5E)-5-ethylidene-4-(1-methoxyprop-2-enylidene)-1,3-oxazolidin-2-one has a molecular weight of 211.26 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4Z,5E)-5-ethylidene-4-(1-methoxyprop-2-enylidene)-1,3-oxazolidin-2-one is sourced from PubChem (CID 143663545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).