5-(hydroxymethyl)-N-methylhex-5-enamide

C8H15NO2 — CID 89257346

IUPAC5-(hydroxymethyl)-N-methylhex-5-enamide
SMILESC=C(CO)CCCC(=O)NC
InChIInChI=1S/C8H15NO2/c1-7(6-10)4-3-5-8(11)9-2/h10H,1,3-6H2,2H3,(H,9,11)
InChIKeyYVIZWCHEEOVGGF-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.45
Rot. Bonds5

About 5-(hydroxymethyl)-N-methylhex-5-enamide

5-(hydroxymethyl)-N-methylhex-5-enamide (PubChem CID 89257346) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-methylhex-5-enamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-methylhex-5-enamide
PubChem CID89257346
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name5-(hydroxymethyl)-N-methylhex-5-enamide
SMILESC=C(CO)CCCC(=O)NC
InChIInChI=1S/C8H15NO2/c1-7(6-10)4-3-5-8(11)9-2/h10H,1,3-6H2,2H3,(H,9,11)
InChIKeyYVIZWCHEEOVGGF-UHFFFAOYSA-N
XLogP0.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N-methylhex-5-enamide?
The IUPAC name of 5-(hydroxymethyl)-N-methylhex-5-enamide (CID 89257346) is 5-(hydroxymethyl)-N-methylhex-5-enamide.
What is the SMILES notation for 5-(hydroxymethyl)-N-methylhex-5-enamide?
The canonical SMILES for 5-(hydroxymethyl)-N-methylhex-5-enamide is C=C(CO)CCCC(=O)NC.
What is the InChIKey of 5-(hydroxymethyl)-N-methylhex-5-enamide?
The InChIKey is YVIZWCHEEOVGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(6-10)4-3-5-8(11)9-2/h10H,1,3-6H2,2H3,(H,9,11).
What are the key properties of 5-(hydroxymethyl)-N-methylhex-5-enamide?
5-(hydroxymethyl)-N-methylhex-5-enamide has a molecular weight of 157.21 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-N-methylhex-5-enamide is sourced from PubChem (CID 89257346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).