ethane;N-[(2E,3E)-2-ethylidene-4-formylhexa-3,5-dienyl]acetamide

C15H27NO2 — CID 144553341

IUPACethane;N-[(2E,3E)-2-ethylidene-4-formylhexa-3,5-dienyl]acetamide
SMILESC=C/C(C=O)=C\C(=C/C)CNC(C)=O.CC.CC
InChIInChI=1S/C11H15NO2.2C2H6/c1-4-10(7-12-9(3)14)6-11(5-2)8-13;2*1-2/h4-6,8H,2,7H2,1,3H3,(H,12,14);2*1-2H3/b10-4+,11-6+;;
InChIKeyPUDZXHQBTFCTIO-YBOYMTSTSA-N
MW253.39 g/mol
LogP3.43
Rot. Bonds5

About ethane;N-[(2E,3E)-2-ethylidene-4-formylhexa-3,5-dienyl]acetamide

ethane;N-[(2E,3E)-2-ethylidene-4-formylhexa-3,5-dienyl]acetamide (PubChem CID 144553341) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is ethane;N-[(2E,3E)-2-ethylidene-4-formylhexa-3,5-dienyl]acetamide.

Molecular Properties

Compound Nameethane;N-[(2E,3E)-2-ethylidene-4-formylhexa-3,5-dienyl]acetamide
PubChem CID144553341
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Nameethane;N-[(2E,3E)-2-ethylidene-4-formylhexa-3,5-dienyl]acetamide
SMILESC=C/C(C=O)=C\C(=C/C)CNC(C)=O.CC.CC
InChIInChI=1S/C11H15NO2.2C2H6/c1-4-10(7-12-9(3)14)6-11(5-2)8-13;2*1-2/h4-6,8H,2,7H2,1,3H3,(H,12,14);2*1-2H3/b10-4+,11-6+;;
InChIKeyPUDZXHQBTFCTIO-YBOYMTSTSA-N
XLogP3.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z)-2-ethenyl-4-ethylhexa-2,4-dienal
CID 143311273
N-[(2E,3Z)-4-methyl-2-(2-methylprop-2-enylidene)hexa-3,5-dienyl]acetamide
CID 170190976
N-[(2E)-2-(methylsulfanylmethylidene)but-3-enyl]acetamide
CID 143717677
N-[(E)-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enyl]acetamide
CID 144540768
N-[3-[[(E,2E)-4-bromo-2-ethylidenepent-3-enyl]amino]propyl]acetamide
CID 143117045
(E)-2-ethenyl-4-methylidenehex-2-enal
CID 142874155
ethane;N-[(2E)-2-ethylpenta-2,4-dienyl]acetamide
CID 142287252
N-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]acetamide
CID 122535321
N-(2-methylidenehexa-3,5-dienyl)acetamide
CID 123691592
(2E)-2-ethenyl-6-methylhepta-2,5-dienal
CID 5369951
2-acetamidoethyl prop-2-enoate;ethane
CID 158515563
propane;propan-2-one;prop-1-ene
CID 160807834

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2E,3E)-2-ethylidene-4-formylhexa-3,5-dienyl]acetamide?
The IUPAC name of ethane;N-[(2E,3E)-2-ethylidene-4-formylhexa-3,5-dienyl]acetamide (CID 144553341) is ethane;N-[(2E,3E)-2-ethylidene-4-formylhexa-3,5-dienyl]acetamide.
What is the SMILES notation for ethane;N-[(2E,3E)-2-ethylidene-4-formylhexa-3,5-dienyl]acetamide?
The canonical SMILES for ethane;N-[(2E,3E)-2-ethylidene-4-formylhexa-3,5-dienyl]acetamide is C=C/C(C=O)=C\C(=C/C)CNC(C)=O.CC.CC.
What is the InChIKey of ethane;N-[(2E,3E)-2-ethylidene-4-formylhexa-3,5-dienyl]acetamide?
The InChIKey is PUDZXHQBTFCTIO-YBOYMTSTSA-N. The full InChI is InChI=1S/C11H15NO2.2C2H6/c1-4-10(7-12-9(3)14)6-11(5-2)8-13;2*1-2/h4-6,8H,2,7H2,1,3H3,(H,12,14);2*1-2H3/b10-4+,11-6+;;.
What are the key properties of ethane;N-[(2E,3E)-2-ethylidene-4-formylhexa-3,5-dienyl]acetamide?
ethane;N-[(2E,3E)-2-ethylidene-4-formylhexa-3,5-dienyl]acetamide has a molecular weight of 253.39 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2E,3E)-2-ethylidene-4-formylhexa-3,5-dienyl]acetamide is sourced from PubChem (CID 144553341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).