N-(4-hydroxybutyl)-2-methylidenehex-3-enamide

C11H19NO2 — CID 123717922

IUPACN-(4-hydroxybutyl)-2-methylidenehex-3-enamide
SMILESC=C(C=CCC)C(=O)NCCCCO
InChIInChI=1S/C11H19NO2/c1-3-4-7-10(2)11(14)12-8-5-6-9-13/h4,7,13H,2-3,5-6,8-9H2,1H3,(H,12,14)
InChIKeyLZXVFYUDJTZUBW-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.40
Rot. Bonds7

About N-(4-hydroxybutyl)-2-methylidenehex-3-enamide

N-(4-hydroxybutyl)-2-methylidenehex-3-enamide (PubChem CID 123717922) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-2-methylidenehex-3-enamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-2-methylidenehex-3-enamide
PubChem CID123717922
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-(4-hydroxybutyl)-2-methylidenehex-3-enamide
SMILESC=C(C=CCC)C(=O)NCCCCO
InChIInChI=1S/C11H19NO2/c1-3-4-7-10(2)11(14)12-8-5-6-9-13/h4,7,13H,2-3,5-6,8-9H2,1H3,(H,12,14)
InChIKeyLZXVFYUDJTZUBW-UHFFFAOYSA-N
XLogP1.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.40
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 N-(4-hydroxybutyl)-2-methylidenehex-3-enamide?
The IUPAC name of N-(4-hydroxybutyl)-2-methylidenehex-3-enamide (CID 123717922) is N-(4-hydroxybutyl)-2-methylidenehex-3-enamide.
What is the SMILES notation for N-(4-hydroxybutyl)-2-methylidenehex-3-enamide?
The canonical SMILES for N-(4-hydroxybutyl)-2-methylidenehex-3-enamide is C=C(C=CCC)C(=O)NCCCCO.
What is the InChIKey of N-(4-hydroxybutyl)-2-methylidenehex-3-enamide?
The InChIKey is LZXVFYUDJTZUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-4-7-10(2)11(14)12-8-5-6-9-13/h4,7,13H,2-3,5-6,8-9H2,1H3,(H,12,14).
What are the key properties of N-(4-hydroxybutyl)-2-methylidenehex-3-enamide?
N-(4-hydroxybutyl)-2-methylidenehex-3-enamide has a molecular weight of 197.28 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-2-methylidenehex-3-enamide is sourced from PubChem (CID 123717922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).