(2E,4E)-N-(2-hydroxyethyl)deca-2,4-dienamide

C12H21NO2 — CID 87742250

IUPAC(2E,4E)-N-(2-hydroxyethyl)deca-2,4-dienamide
SMILESCCCCC/C=C/C=C/C(=O)NCCO
InChIInChI=1S/C12H21NO2/c1-2-3-4-5-6-7-8-9-12(15)13-10-11-14/h6-9,14H,2-5,10-11H2,1H3,(H,13,15)/b7-6+,9-8+
InChIKeyGKQBTYJRRTWQCF-BLHCBFLLSA-N
MW211.31 g/mol
LogP1.79
Rot. Bonds8

About (2E,4E)-N-(2-hydroxyethyl)deca-2,4-dienamide

(2E,4E)-N-(2-hydroxyethyl)deca-2,4-dienamide (PubChem CID 87742250) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is (2E,4E)-N-(2-hydroxyethyl)deca-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(2-hydroxyethyl)deca-2,4-dienamide
PubChem CID87742250
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC Name(2E,4E)-N-(2-hydroxyethyl)deca-2,4-dienamide
SMILESCCCCC/C=C/C=C/C(=O)NCCO
InChIInChI=1S/C12H21NO2/c1-2-3-4-5-6-7-8-9-12(15)13-10-11-14/h6-9,14H,2-5,10-11H2,1H3,(H,13,15)/b7-6+,9-8+
InChIKeyGKQBTYJRRTWQCF-BLHCBFLLSA-N
XLogP1.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
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,4E)-N-(2-hydroxyethyl)deca-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(2-hydroxyethyl)deca-2,4-dienamide (CID 87742250) is (2E,4E)-N-(2-hydroxyethyl)deca-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(2-hydroxyethyl)deca-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(2-hydroxyethyl)deca-2,4-dienamide is CCCCC/C=C/C=C/C(=O)NCCO.
What is the InChIKey of (2E,4E)-N-(2-hydroxyethyl)deca-2,4-dienamide?
The InChIKey is GKQBTYJRRTWQCF-BLHCBFLLSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-3-4-5-6-7-8-9-12(15)13-10-11-14/h6-9,14H,2-5,10-11H2,1H3,(H,13,15)/b7-6+,9-8+.
What are the key properties of (2E,4E)-N-(2-hydroxyethyl)deca-2,4-dienamide?
(2E,4E)-N-(2-hydroxyethyl)deca-2,4-dienamide has a molecular weight of 211.31 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(2-hydroxyethyl)deca-2,4-dienamide is sourced from PubChem (CID 87742250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).