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

C8H13NO — CID 142300255

IUPAC(4E,5E)-4-ethylidene-5-propylidene-1,3-oxazolidine
SMILESC/C=C1/NCO/C1=C/CC
InChIInChI=1S/C8H13NO/c1-3-5-8-7(4-2)9-6-10-8/h4-5,9H,3,6H2,1-2H3/b7-4+,8-5+
InChIKeyBPFPBBXMGMREQW-NSLJXJERSA-N
MW139.20 g/mol
LogP1.76
Rot. Bonds1

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

(4E,5E)-4-ethylidene-5-propylidene-1,3-oxazolidine (PubChem CID 142300255) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (4E,5E)-4-ethylidene-5-propylidene-1,3-oxazolidine.

Molecular Properties

Compound Name(4E,5E)-4-ethylidene-5-propylidene-1,3-oxazolidine
PubChem CID142300255
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(4E,5E)-4-ethylidene-5-propylidene-1,3-oxazolidine
SMILESC/C=C1/NCO/C1=C/CC
InChIInChI=1S/C8H13NO/c1-3-5-8-7(4-2)9-6-10-8/h4-5,9H,3,6H2,1-2H3/b7-4+,8-5+
InChIKeyBPFPBBXMGMREQW-NSLJXJERSA-N
XLogP1.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4E,5E)-4-ethylidene-5-propylidene-1,3-oxazolidine with MolForge

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Related Compounds

2,3-Dihydrocyclohepta[d][1,3]oxazole
CID 123811482
5,5-Dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole
CID 138722222
7-methoxy-N-methylcyclohepta-1,3,6-trien-1-amine
CID 142187500
ethane;(4E,5E)-4-ethylidene-5-propylidene-1,3-oxazolidine
CID 142300254
6-methoxy-N-methylcyclohexa-1,5-dien-1-amine
CID 142506360
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
(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-oxazolidine
CID 162723403

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4-ethylidene-5-propylidene-1,3-oxazolidine?
The IUPAC name of (4E,5E)-4-ethylidene-5-propylidene-1,3-oxazolidine (CID 142300255) is (4E,5E)-4-ethylidene-5-propylidene-1,3-oxazolidine.
What is the SMILES notation for (4E,5E)-4-ethylidene-5-propylidene-1,3-oxazolidine?
The canonical SMILES for (4E,5E)-4-ethylidene-5-propylidene-1,3-oxazolidine is C/C=C1/NCO/C1=C/CC.
What is the InChIKey of (4E,5E)-4-ethylidene-5-propylidene-1,3-oxazolidine?
The InChIKey is BPFPBBXMGMREQW-NSLJXJERSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-5-8-7(4-2)9-6-10-8/h4-5,9H,3,6H2,1-2H3/b7-4+,8-5+.
What are the key properties of (4E,5E)-4-ethylidene-5-propylidene-1,3-oxazolidine?
(4E,5E)-4-ethylidene-5-propylidene-1,3-oxazolidine has a molecular weight of 139.20 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-ethylidene-5-propylidene-1,3-oxazolidine is sourced from PubChem (CID 142300255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).