(2E,3E)-2-ethylidene-N-(2-methoxyethyl)-3-methylhexa-3,5-dienamide;molecular hydrogen

C12H21NO2 — CID 143375881

IUPAC(2E,3E)-2-ethylidene-N-(2-methoxyethyl)-3-methylhexa-3,5-dienamide;molecular hydrogen
SMILESC=C/C=C(C)/C(=C\C)C(=O)NCCOC.[H][H]
InChIInChI=1S/C12H19NO2.H2/c1-5-7-10(3)11(6-2)12(14)13-8-9-15-4;/h5-7H,1,8-9H2,2-4H3,(H,13,14);1H/b10-7+,11-6+;
InChIKeySFYBIZFCLDWAAO-WPMIGLRYSA-N
MW211.31 g/mol
LogP2.07
Rot. Bonds6

About (2E,3E)-2-ethylidene-N-(2-methoxyethyl)-3-methylhexa-3,5-dienamide;molecular hydrogen

(2E,3E)-2-ethylidene-N-(2-methoxyethyl)-3-methylhexa-3,5-dienamide;molecular hydrogen (PubChem CID 143375881) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is (2E,3E)-2-ethylidene-N-(2-methoxyethyl)-3-methylhexa-3,5-dienamide;molecular hydrogen.

Molecular Properties

Compound Name(2E,3E)-2-ethylidene-N-(2-methoxyethyl)-3-methylhexa-3,5-dienamide;molecular hydrogen
PubChem CID143375881
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC Name(2E,3E)-2-ethylidene-N-(2-methoxyethyl)-3-methylhexa-3,5-dienamide;molecular hydrogen
SMILESC=C/C=C(C)/C(=C\C)C(=O)NCCOC.[H][H]
InChIInChI=1S/C12H19NO2.H2/c1-5-7-10(3)11(6-2)12(14)13-8-9-15-4;/h5-7H,1,8-9H2,2-4H3,(H,13,14);1H/b10-7+,11-6+;
InChIKeySFYBIZFCLDWAAO-WPMIGLRYSA-N
XLogP2.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,3E)-2-ethylidene-N-(2-methoxyethyl)-3-methylhexa-3,5-dienamide;molecular hydrogen?
The IUPAC name of (2E,3E)-2-ethylidene-N-(2-methoxyethyl)-3-methylhexa-3,5-dienamide;molecular hydrogen (CID 143375881) is (2E,3E)-2-ethylidene-N-(2-methoxyethyl)-3-methylhexa-3,5-dienamide;molecular hydrogen.
What is the SMILES notation for (2E,3E)-2-ethylidene-N-(2-methoxyethyl)-3-methylhexa-3,5-dienamide;molecular hydrogen?
The canonical SMILES for (2E,3E)-2-ethylidene-N-(2-methoxyethyl)-3-methylhexa-3,5-dienamide;molecular hydrogen is C=C/C=C(C)/C(=C\C)C(=O)NCCOC.[H][H].
What is the InChIKey of (2E,3E)-2-ethylidene-N-(2-methoxyethyl)-3-methylhexa-3,5-dienamide;molecular hydrogen?
The InChIKey is SFYBIZFCLDWAAO-WPMIGLRYSA-N. The full InChI is InChI=1S/C12H19NO2.H2/c1-5-7-10(3)11(6-2)12(14)13-8-9-15-4;/h5-7H,1,8-9H2,2-4H3,(H,13,14);1H/b10-7+,11-6+;.
What are the key properties of (2E,3E)-2-ethylidene-N-(2-methoxyethyl)-3-methylhexa-3,5-dienamide;molecular hydrogen?
(2E,3E)-2-ethylidene-N-(2-methoxyethyl)-3-methylhexa-3,5-dienamide;molecular hydrogen has a molecular weight of 211.31 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-2-ethylidene-N-(2-methoxyethyl)-3-methylhexa-3,5-dienamide;molecular hydrogen is sourced from PubChem (CID 143375881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).