ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine

C12H23NO — CID 143256828

IUPACethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine
SMILESC=C(C)/C=C1/NCOC1=C.CC.CC
InChIInChI=1S/C8H11NO.2C2H6/c1-6(2)4-8-7(3)10-5-9-8;2*1-2/h4,9H,1,3,5H2,2H3;2*1-2H3/b8-4+;;
InChIKeyYVSHNJQZIZXIQF-ZDTICIBISA-N
MW197.32 g/mol
LogP3.59
Rot. Bonds1

About ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine

ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine (PubChem CID 143256828) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine.

Molecular Properties

Compound Nameethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine
PubChem CID143256828
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Nameethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine
SMILESC=C(C)/C=C1/NCOC1=C.CC.CC
InChIInChI=1S/C8H11NO.2C2H6/c1-6(2)4-8-7(3)10-5-9-8;2*1-2/h4,9H,1,3,5H2,2H3;2*1-2H3/b8-4+;;
InChIKeyYVSHNJQZIZXIQF-ZDTICIBISA-N
XLogP3.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3E,5Z)-3-methoxy-N,5-dimethylhepta-1,3,5-trien-2-amine
CID 137427656
5,5-Dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole
CID 138722222
ethane;(4E,5E)-4-ethylidene-5-propylidene-1,3-oxazolidine
CID 142300254
ethane;7-methoxy-N,4-dimethylcyclohepta-1,4,6-trien-1-amine
CID 142474982
ethane;5-methyl-3,7-dihydro-2H-cyclohepta[d][1,3]oxazole
CID 143256258
ethane;(4E,5E)-5-ethylidene-4-prop-2-enylidene-1,3-oxazolidine
CID 143817261
ethane;(4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-oxazolidine
CID 144877979
Ethane;2,3,5,6-tetrahydro-1,3-benzoxazole
CID 145267149
(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-oxazolidine
CID 162723403
ethane;(3E)-2-methoxy-N,5-dimethylhexa-1,3,5-trien-3-amine
CID 163229690
ethane;(3E)-N-ethyl-2-methoxy-5-methylhexa-1,3,5-trien-3-amine
CID 164573779
(3aE,9E)-6-methyl-2,3-dihydrocycloocta[d][1,3]oxazole
CID 173687881

Frequently Asked Questions

What is the IUPAC name of ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine?
The IUPAC name of ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine (CID 143256828) is ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine.
What is the SMILES notation for ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine?
The canonical SMILES for ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine is C=C(C)/C=C1/NCOC1=C.CC.CC.
What is the InChIKey of ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine?
The InChIKey is YVSHNJQZIZXIQF-ZDTICIBISA-N. The full InChI is InChI=1S/C8H11NO.2C2H6/c1-6(2)4-8-7(3)10-5-9-8;2*1-2/h4,9H,1,3,5H2,2H3;2*1-2H3/b8-4+;;.
What are the key properties of ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine?
ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine has a molecular weight of 197.32 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine is sourced from PubChem (CID 143256828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).