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

C10H17NO — CID 144877979

IUPACethane;(4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-oxazolidine
SMILESC=C/C=C1/OCN/C1=C/C.CC
InChIInChI=1S/C8H11NO.C2H6/c1-3-5-8-7(4-2)9-6-10-8;1-2/h3-5,9H,1,6H2,2H3;1-2H3/b7-4+,8-5+;
InChIKeyFEQDDPIPXZGTSI-JJHSXXHRSA-N
MW167.25 g/mol
LogP2.56
Rot. Bonds1

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

ethane;(4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-oxazolidine (PubChem CID 144877979) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is ethane;(4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-oxazolidine.

Molecular Properties

Compound Nameethane;(4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-oxazolidine
PubChem CID144877979
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Nameethane;(4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-oxazolidine
SMILESC=C/C=C1/OCN/C1=C/C.CC
InChIInChI=1S/C8H11NO.C2H6/c1-3-5-8-7(4-2)9-6-10-8;1-2/h3-5,9H,1,6H2,2H3;1-2H3/b7-4+,8-5+;
InChIKeyFEQDDPIPXZGTSI-JJHSXXHRSA-N
XLogP2.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-oxazolidine?
The IUPAC name of ethane;(4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-oxazolidine (CID 144877979) is ethane;(4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-oxazolidine.
What is the SMILES notation for ethane;(4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-oxazolidine?
The canonical SMILES for ethane;(4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-oxazolidine is C=C/C=C1/OCN/C1=C/C.CC.
What is the InChIKey of ethane;(4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-oxazolidine?
The InChIKey is FEQDDPIPXZGTSI-JJHSXXHRSA-N. The full InChI is InChI=1S/C8H11NO.C2H6/c1-3-5-8-7(4-2)9-6-10-8;1-2/h3-5,9H,1,6H2,2H3;1-2H3/b7-4+,8-5+;.
What are the key properties of ethane;(4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-oxazolidine?
ethane;(4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-oxazolidine has a molecular weight of 167.25 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-oxazolidine is sourced from PubChem (CID 144877979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).