ethane;(2E,4E,5Z)-4-ethylidene-N-methylocta-2,5,7-trienamide

C13H21NO — CID 142901922

IUPACethane;(2E,4E,5Z)-4-ethylidene-N-methylocta-2,5,7-trienamide
SMILESC=C/C=C\C(\C=C\C(=O)NC)=C/C.CC
InChIInChI=1S/C11H15NO.C2H6/c1-4-6-7-10(5-2)8-9-11(13)12-3;1-2/h4-9H,1H2,2-3H3,(H,12,13);1-2H3/b7-6-,9-8+,10-5+;
InChIKeyOFPLISWKYKHNHU-BNBYKLJBSA-N
MW207.32 g/mol
LogP3.00
Rot. Bonds4

About ethane;(2E,4E,5Z)-4-ethylidene-N-methylocta-2,5,7-trienamide

ethane;(2E,4E,5Z)-4-ethylidene-N-methylocta-2,5,7-trienamide (PubChem CID 142901922) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is ethane;(2E,4E,5Z)-4-ethylidene-N-methylocta-2,5,7-trienamide.

Molecular Properties

Compound Nameethane;(2E,4E,5Z)-4-ethylidene-N-methylocta-2,5,7-trienamide
PubChem CID142901922
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Nameethane;(2E,4E,5Z)-4-ethylidene-N-methylocta-2,5,7-trienamide
SMILESC=C/C=C\C(\C=C\C(=O)NC)=C/C.CC
InChIInChI=1S/C11H15NO.C2H6/c1-4-6-7-10(5-2)8-9-11(13)12-3;1-2/h4-9H,1H2,2-3H3,(H,12,13);1-2H3/b7-6-,9-8+,10-5+;
InChIKeyOFPLISWKYKHNHU-BNBYKLJBSA-N
XLogP3.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E,5Z)-4-ethylideneocta-2,5,7-trienamide
CID 118357992
N,N'-dimethylbut-2-enediamide
CID 54344026
(3Z,5Z,6E)-5-ethylideneocta-1,3,6-triene
CID 142093033
(2Z,4Z)-N,N'-dimethylhexa-2,4-dienediamide
CID 102438921
(2E,3Z)-2-ethylidenehexa-3,5-dien-1-imine
CID 143548384
(3Z,5E,10E,11Z)-5,10-di(ethylidene)trideca-1,3,6,11-tetraen-8-yne;ethane
CID 144946763
ethane;(2Z)-penta-2,4-dienamide
CID 143902044
4-(methylamino)-4-oxobut-2-enoate
CID 6992861
4-(methylamino)-4-oxobut-2-enoyl chloride
CID 91428826
(2E,3Z)-N-methyl-2-prop-2-enylidenehexa-3,5-dienamide
CID 130205003
methanol;bis(N-methylprop-2-enamide)
CID 175170531
(2E,4Z)-N-methylhepta-2,4,6-trien-3-amine;propane
CID 144790327

Frequently Asked Questions

What is the IUPAC name of ethane;(2E,4E,5Z)-4-ethylidene-N-methylocta-2,5,7-trienamide?
The IUPAC name of ethane;(2E,4E,5Z)-4-ethylidene-N-methylocta-2,5,7-trienamide (CID 142901922) is ethane;(2E,4E,5Z)-4-ethylidene-N-methylocta-2,5,7-trienamide.
What is the SMILES notation for ethane;(2E,4E,5Z)-4-ethylidene-N-methylocta-2,5,7-trienamide?
The canonical SMILES for ethane;(2E,4E,5Z)-4-ethylidene-N-methylocta-2,5,7-trienamide is C=C/C=C\C(\C=C\C(=O)NC)=C/C.CC.
What is the InChIKey of ethane;(2E,4E,5Z)-4-ethylidene-N-methylocta-2,5,7-trienamide?
The InChIKey is OFPLISWKYKHNHU-BNBYKLJBSA-N. The full InChI is InChI=1S/C11H15NO.C2H6/c1-4-6-7-10(5-2)8-9-11(13)12-3;1-2/h4-9H,1H2,2-3H3,(H,12,13);1-2H3/b7-6-,9-8+,10-5+;.
What are the key properties of ethane;(2E,4E,5Z)-4-ethylidene-N-methylocta-2,5,7-trienamide?
ethane;(2E,4E,5Z)-4-ethylidene-N-methylocta-2,5,7-trienamide has a molecular weight of 207.32 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,4E,5Z)-4-ethylidene-N-methylocta-2,5,7-trienamide is sourced from PubChem (CID 142901922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).