N-(2-hydroxyethyl)-5-methyl-4-methylidenehexa-2,5-dienamide

C10H15NO2 — CID 123436293

IUPACN-(2-hydroxyethyl)-5-methyl-4-methylidenehexa-2,5-dienamide
SMILESC=C(C)C(=C)C=CC(=O)NCCO
InChIInChI=1S/C10H15NO2/c1-8(2)9(3)4-5-10(13)11-6-7-12/h4-5,12H,1,3,6-7H2,2H3,(H,11,13)
InChIKeyFDUISDMGQZAEDF-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.78
Rot. Bonds5

About N-(2-hydroxyethyl)-5-methyl-4-methylidenehexa-2,5-dienamide

N-(2-hydroxyethyl)-5-methyl-4-methylidenehexa-2,5-dienamide (PubChem CID 123436293) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5-methyl-4-methylidenehexa-2,5-dienamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-5-methyl-4-methylidenehexa-2,5-dienamide
PubChem CID123436293
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN-(2-hydroxyethyl)-5-methyl-4-methylidenehexa-2,5-dienamide
SMILESC=C(C)C(=C)C=CC(=O)NCCO
InChIInChI=1S/C10H15NO2/c1-8(2)9(3)4-5-10(13)11-6-7-12/h4-5,12H,1,3,6-7H2,2H3,(H,11,13)
InChIKeyFDUISDMGQZAEDF-UHFFFAOYSA-N
XLogP0.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 N-(2-hydroxyethyl)-5-methyl-4-methylidenehexa-2,5-dienamide?
The IUPAC name of N-(2-hydroxyethyl)-5-methyl-4-methylidenehexa-2,5-dienamide (CID 123436293) is N-(2-hydroxyethyl)-5-methyl-4-methylidenehexa-2,5-dienamide.
What is the SMILES notation for N-(2-hydroxyethyl)-5-methyl-4-methylidenehexa-2,5-dienamide?
The canonical SMILES for N-(2-hydroxyethyl)-5-methyl-4-methylidenehexa-2,5-dienamide is C=C(C)C(=C)C=CC(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-5-methyl-4-methylidenehexa-2,5-dienamide?
The InChIKey is FDUISDMGQZAEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8(2)9(3)4-5-10(13)11-6-7-12/h4-5,12H,1,3,6-7H2,2H3,(H,11,13).
What are the key properties of N-(2-hydroxyethyl)-5-methyl-4-methylidenehexa-2,5-dienamide?
N-(2-hydroxyethyl)-5-methyl-4-methylidenehexa-2,5-dienamide has a molecular weight of 181.23 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-5-methyl-4-methylidenehexa-2,5-dienamide is sourced from PubChem (CID 123436293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).