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

C11H19NO — CID 142971050

IUPACethane;(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1,3-oxazolidine
SMILESC=C/C=C1/OC(C)N/C1=C/C.CC
InChIInChI=1S/C9H13NO.C2H6/c1-4-6-9-8(5-2)10-7(3)11-9;1-2/h4-7,10H,1H2,2-3H3;1-2H3/b8-5+,9-6+;
InChIKeyFCDFUAPCXVDNQW-OYPDEJHISA-N
MW181.28 g/mol
LogP2.95
Rot. Bonds1

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

ethane;(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1,3-oxazolidine (PubChem CID 142971050) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is ethane;(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1,3-oxazolidine.

Molecular Properties

Compound Nameethane;(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1,3-oxazolidine
PubChem CID142971050
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Nameethane;(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1,3-oxazolidine
SMILESC=C/C=C1/OC(C)N/C1=C/C.CC
InChIInChI=1S/C9H13NO.C2H6/c1-4-6-9-8(5-2)10-7(3)11-9;1-2/h4-7,10H,1H2,2-3H3;1-2H3/b8-5+,9-6+;
InChIKeyFCDFUAPCXVDNQW-OYPDEJHISA-N
XLogP2.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3,4-dihydro-2H-1,4-oxazine
CID 132040108
(5Z,7Z,9Z,11Z,13Z)-3,4-dihydro-2H-cyclododeca[b][1,4]oxazine
CID 141518119
3,8-Dimethoxy-2,3,4,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-4-ium;ethane;sulfane
CID 142287652
5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-oxazine;ethane
CID 142875287
ethane;6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine
CID 142875398
6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine
CID 142875399
(2E,3Z)-2-[(Z)-but-2-enylidene]-3-ethylidenemorpholine
CID 142996544
(3E,5E)-5-ethoxy-N-methylhepta-1,3,5-trien-4-amine
CID 143012572
5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-oxazine;ethane
CID 143106515
(2E,3E)-3-[(Z)-but-2-enylidene]-2-ethylidenemorpholine;ethane
CID 143195759
4,5-Bis(ethenyl)-2-methyl-2,3-dihydro-1,3-oxazole
CID 143414479
ethane;(2E,4E)-4-methoxy-N-propylhepta-2,4,6-trien-3-amine
CID 143534296

Frequently Asked Questions

What is the IUPAC name of ethane;(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1,3-oxazolidine?
The IUPAC name of ethane;(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1,3-oxazolidine (CID 142971050) is ethane;(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1,3-oxazolidine.
What is the SMILES notation for ethane;(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1,3-oxazolidine?
The canonical SMILES for ethane;(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1,3-oxazolidine is C=C/C=C1/OC(C)N/C1=C/C.CC.
What is the InChIKey of ethane;(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1,3-oxazolidine?
The InChIKey is FCDFUAPCXVDNQW-OYPDEJHISA-N. The full InChI is InChI=1S/C9H13NO.C2H6/c1-4-6-9-8(5-2)10-7(3)11-9;1-2/h4-7,10H,1H2,2-3H3;1-2H3/b8-5+,9-6+;.
What are the key properties of ethane;(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1,3-oxazolidine?
ethane;(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1,3-oxazolidine has a molecular weight of 181.28 g/mol, XLogP of 2.95, 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-2-methyl-5-prop-2-enylidene-1,3-oxazolidine is sourced from PubChem (CID 142971050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).