ethane;(4E,5E)-4-ethylidene-5-propylidene-1,3-oxazolidine

C10H19NO — CID 142300254

IUPACethane;(4E,5E)-4-ethylidene-5-propylidene-1,3-oxazolidine
SMILESC/C=C1/NCO/C1=C/CC.CC
InChIInChI=1S/C8H13NO.C2H6/c1-3-5-8-7(4-2)9-6-10-8;1-2/h4-5,9H,3,6H2,1-2H3;1-2H3/b7-4+,8-5+;
InChIKeyWNBCZWFHLGBAPG-JJHSXXHRSA-N
MW169.27 g/mol
LogP2.79
Rot. Bonds1

About ethane;(4E,5E)-4-ethylidene-5-propylidene-1,3-oxazolidine

ethane;(4E,5E)-4-ethylidene-5-propylidene-1,3-oxazolidine (PubChem CID 142300254) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is ethane;(4E,5E)-4-ethylidene-5-propylidene-1,3-oxazolidine.

Molecular Properties

Compound Nameethane;(4E,5E)-4-ethylidene-5-propylidene-1,3-oxazolidine
PubChem CID142300254
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Nameethane;(4E,5E)-4-ethylidene-5-propylidene-1,3-oxazolidine
SMILESC/C=C1/NCO/C1=C/CC.CC
InChIInChI=1S/C8H13NO.C2H6/c1-3-5-8-7(4-2)9-6-10-8;1-2/h4-5,9H,3,6H2,1-2H3;1-2H3/b7-4+,8-5+;
InChIKeyWNBCZWFHLGBAPG-JJHSXXHRSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.79
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-propylidene-1,3-oxazolidine?
The IUPAC name of ethane;(4E,5E)-4-ethylidene-5-propylidene-1,3-oxazolidine (CID 142300254) is ethane;(4E,5E)-4-ethylidene-5-propylidene-1,3-oxazolidine.
What is the SMILES notation for ethane;(4E,5E)-4-ethylidene-5-propylidene-1,3-oxazolidine?
The canonical SMILES for ethane;(4E,5E)-4-ethylidene-5-propylidene-1,3-oxazolidine is C/C=C1/NCO/C1=C/CC.CC.
What is the InChIKey of ethane;(4E,5E)-4-ethylidene-5-propylidene-1,3-oxazolidine?
The InChIKey is WNBCZWFHLGBAPG-JJHSXXHRSA-N. The full InChI is InChI=1S/C8H13NO.C2H6/c1-3-5-8-7(4-2)9-6-10-8;1-2/h4-5,9H,3,6H2,1-2H3;1-2H3/b7-4+,8-5+;.
What are the key properties of ethane;(4E,5E)-4-ethylidene-5-propylidene-1,3-oxazolidine?
ethane;(4E,5E)-4-ethylidene-5-propylidene-1,3-oxazolidine has a molecular weight of 169.27 g/mol, XLogP of 2.79, 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-propylidene-1,3-oxazolidine is sourced from PubChem (CID 142300254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).