(Z,2E)-N-ethyl-2-ethylidenehex-3-en-5-ynamide

C10H13NO — CID 130282853

IUPAC(Z,2E)-N-ethyl-2-ethylidenehex-3-en-5-ynamide
SMILESC#C/C=C\C(=C/C)C(=O)NCC
InChIInChI=1S/C10H13NO/c1-4-7-8-9(5-2)10(12)11-6-3/h1,5,7-8H,6H2,2-3H3,(H,11,12)/b8-7-,9-5+
InChIKeyGUNBZKSWKOLIHO-ISXYNVPDSA-N
MW163.22 g/mol
LogP1.26
Rot. Bonds3

About (Z,2E)-N-ethyl-2-ethylidenehex-3-en-5-ynamide

(Z,2E)-N-ethyl-2-ethylidenehex-3-en-5-ynamide (PubChem CID 130282853) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (Z,2E)-N-ethyl-2-ethylidenehex-3-en-5-ynamide.

Molecular Properties

Compound Name(Z,2E)-N-ethyl-2-ethylidenehex-3-en-5-ynamide
PubChem CID130282853
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(Z,2E)-N-ethyl-2-ethylidenehex-3-en-5-ynamide
SMILESC#C/C=C\C(=C/C)C(=O)NCC
InChIInChI=1S/C10H13NO/c1-4-7-8-9(5-2)10(12)11-6-3/h1,5,7-8H,6H2,2-3H3,(H,11,12)/b8-7-,9-5+
InChIKeyGUNBZKSWKOLIHO-ISXYNVPDSA-N
XLogP1.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.26
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (Z)-pent-2-en-4-ynoate
CID 10887897
(E)-N-ethyl-2-methylbut-2-enamide
CID 22451134
(Z,2E)-N-(aminomethyl)-2-ethylidenehex-3-enamide
CID 118029945
(E)-2-ethenyl-N-ethylpent-2-enamide
CID 156641185
(2E,3Z,5Z)-5-ethyl-2-ethylidene-N-propylhepta-3,5-dienamide
CID 143257008
(E)-N,N'-diethylbut-2-enediamide
CID 22015135
pent-2-en-4-ynoic acid
CID 54170005
N-ethyl-2,3-dimethoxybut-2-enamide
CID 72608275
(Z)-3-cyano-N-ethylprop-2-enamide
CID 166882197
ethane;(E,2E)-N-ethyl-2-ethylidene-3-hydroxypent-3-enamide
CID 142274117
bis[2-(ethylamino)-2-oxoethyl] (E)-but-2-enedioate
CID 35700508
N-ethyl-2,3,3-trihydroxyprop-2-enamide
CID 161274596

Frequently Asked Questions

What is the IUPAC name of (Z,2E)-N-ethyl-2-ethylidenehex-3-en-5-ynamide?
The IUPAC name of (Z,2E)-N-ethyl-2-ethylidenehex-3-en-5-ynamide (CID 130282853) is (Z,2E)-N-ethyl-2-ethylidenehex-3-en-5-ynamide.
What is the SMILES notation for (Z,2E)-N-ethyl-2-ethylidenehex-3-en-5-ynamide?
The canonical SMILES for (Z,2E)-N-ethyl-2-ethylidenehex-3-en-5-ynamide is C#C/C=C\C(=C/C)C(=O)NCC.
What is the InChIKey of (Z,2E)-N-ethyl-2-ethylidenehex-3-en-5-ynamide?
The InChIKey is GUNBZKSWKOLIHO-ISXYNVPDSA-N. The full InChI is InChI=1S/C10H13NO/c1-4-7-8-9(5-2)10(12)11-6-3/h1,5,7-8H,6H2,2-3H3,(H,11,12)/b8-7-,9-5+.
What are the key properties of (Z,2E)-N-ethyl-2-ethylidenehex-3-en-5-ynamide?
(Z,2E)-N-ethyl-2-ethylidenehex-3-en-5-ynamide has a molecular weight of 163.22 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-N-ethyl-2-ethylidenehex-3-en-5-ynamide is sourced from PubChem (CID 130282853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).