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

C8H11NO — CID 143256829

IUPAC(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine
SMILESC=C(C)/C=C1/NCOC1=C
InChIInChI=1S/C8H11NO/c1-6(2)4-8-7(3)10-5-9-8/h4,9H,1,3,5H2,2H3/b8-4+
InChIKeyBXYPACZBBZBMSK-XBXARRHUSA-N
MW137.18 g/mol
LogP1.54
Rot. Bonds1

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

(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine (PubChem CID 143256829) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine.

Molecular Properties

Compound Name(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine
PubChem CID143256829
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine
SMILESC=C(C)/C=C1/NCOC1=C
InChIInChI=1S/C8H11NO/c1-6(2)4-8-7(3)10-5-9-8/h4,9H,1,3,5H2,2H3/b8-4+
InChIKeyBXYPACZBBZBMSK-XBXARRHUSA-N
XLogP1.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.54
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)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine
CID 143256828
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
2,3,5,6-Tetrahydro-1,3-benzoxazole
CID 145267150
(4E)-2-methyl-4-(3-methylbut-2-enylidene)-5-methylidene-1,3-oxazolidine
CID 155347226
(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-oxazolidine
CID 162723403

Frequently Asked Questions

What is the IUPAC name of (4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine?
The IUPAC name of (4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine (CID 143256829) is (4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine.
What is the SMILES notation for (4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine?
The canonical SMILES for (4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine is C=C(C)/C=C1/NCOC1=C.
What is the InChIKey of (4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine?
The InChIKey is BXYPACZBBZBMSK-XBXARRHUSA-N. The full InChI is InChI=1S/C8H11NO/c1-6(2)4-8-7(3)10-5-9-8/h4,9H,1,3,5H2,2H3/b8-4+.
What are the key properties of (4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine?
(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine has a molecular weight of 137.18 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine is sourced from PubChem (CID 143256829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).