ethane;(2E)-2-ethenyl-N-(2-methylpropyl)penta-2,4-dienamide

C13H23NO — CID 143734508

IUPACethane;(2E)-2-ethenyl-N-(2-methylpropyl)penta-2,4-dienamide
SMILESC=C/C=C(\C=C)C(=O)NCC(C)C.CC
InChIInChI=1S/C11H17NO.C2H6/c1-5-7-10(6-2)11(13)12-8-9(3)4;1-2/h5-7,9H,1-2,8H2,3-4H3,(H,12,13);1-2H3/b10-7+;
InChIKeyAAMNLMZPSKGQAO-HCUGZAAXSA-N
MW209.33 g/mol
LogP3.08
Rot. Bonds5

About ethane;(2E)-2-ethenyl-N-(2-methylpropyl)penta-2,4-dienamide

ethane;(2E)-2-ethenyl-N-(2-methylpropyl)penta-2,4-dienamide (PubChem CID 143734508) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is ethane;(2E)-2-ethenyl-N-(2-methylpropyl)penta-2,4-dienamide.

Molecular Properties

Compound Nameethane;(2E)-2-ethenyl-N-(2-methylpropyl)penta-2,4-dienamide
PubChem CID143734508
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Nameethane;(2E)-2-ethenyl-N-(2-methylpropyl)penta-2,4-dienamide
SMILESC=C/C=C(\C=C)C(=O)NCC(C)C.CC
InChIInChI=1S/C11H17NO.C2H6/c1-5-7-10(6-2)11(13)12-8-9(3)4;1-2/h5-7,9H,1-2,8H2,3-4H3,(H,12,13);1-2H3/b10-7+;
InChIKeyAAMNLMZPSKGQAO-HCUGZAAXSA-N
XLogP3.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.08
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

formic acid;N-(2-methylpropyl)prop-2-enamide
CID 174936612
(E)-2-methyl-N-(2-methylpropyl)but-2-enamide
CID 57408889
ethane;(2E)-2-ethenyl-N-ethylpenta-2,4-dienamide;N-(2-phenylsulfanylphenyl)formamide
CID 169183043
N-buta-1,3-dien-2-yl-2-methylpropan-1-amine
CID 139321589
(2E)-2-ethenylpenta-2,4-dienethioic S-acid
CID 142851404
ethane;N-(2-methylpropyl)acetamide
CID 142232237
(E)-2-ethenyl-N-ethylpent-2-enamide
CID 156641185
6-methyl-N-(2-methylpropyl)-5-oxohept-6-enamide
CID 163614601
(2E)-2-ethenyl-N-[(E)-4-formamidohept-4-en-2-yl]penta-2,4-dienamide
CID 90363033
hydron;1-(2-methylpropyl)-3-prop-2-enylurea
CID 174433469
N-(2-methylpropyl)-2,4-dioxopentanamide
CID 123533018
N-(2-methylpropyl)-3-(prop-2-enylamino)propanamide
CID 109011984

Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-2-ethenyl-N-(2-methylpropyl)penta-2,4-dienamide?
The IUPAC name of ethane;(2E)-2-ethenyl-N-(2-methylpropyl)penta-2,4-dienamide (CID 143734508) is ethane;(2E)-2-ethenyl-N-(2-methylpropyl)penta-2,4-dienamide.
What is the SMILES notation for ethane;(2E)-2-ethenyl-N-(2-methylpropyl)penta-2,4-dienamide?
The canonical SMILES for ethane;(2E)-2-ethenyl-N-(2-methylpropyl)penta-2,4-dienamide is C=C/C=C(\C=C)C(=O)NCC(C)C.CC.
What is the InChIKey of ethane;(2E)-2-ethenyl-N-(2-methylpropyl)penta-2,4-dienamide?
The InChIKey is AAMNLMZPSKGQAO-HCUGZAAXSA-N. The full InChI is InChI=1S/C11H17NO.C2H6/c1-5-7-10(6-2)11(13)12-8-9(3)4;1-2/h5-7,9H,1-2,8H2,3-4H3,(H,12,13);1-2H3/b10-7+;.
What are the key properties of ethane;(2E)-2-ethenyl-N-(2-methylpropyl)penta-2,4-dienamide?
ethane;(2E)-2-ethenyl-N-(2-methylpropyl)penta-2,4-dienamide has a molecular weight of 209.33 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-2-ethenyl-N-(2-methylpropyl)penta-2,4-dienamide is sourced from PubChem (CID 143734508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).