3-hydroxy-N,2,4-trimethylpent-2-enamide

C8H15NO2 — CID 141458418

IUPAC3-hydroxy-N,2,4-trimethylpent-2-enamide
SMILESCNC(=O)C(C)=C(O)C(C)C
InChIInChI=1S/C8H15NO2/c1-5(2)7(10)6(3)8(11)9-4/h5,10H,1-4H3,(H,9,11)
InChIKeyYRRQNDZYHXIHHZ-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.22
Rot. Bonds2

About 3-hydroxy-N,2,4-trimethylpent-2-enamide

3-hydroxy-N,2,4-trimethylpent-2-enamide (PubChem CID 141458418) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-hydroxy-N,2,4-trimethylpent-2-enamide.

Molecular Properties

Compound Name3-hydroxy-N,2,4-trimethylpent-2-enamide
PubChem CID141458418
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-hydroxy-N,2,4-trimethylpent-2-enamide
SMILESCNC(=O)C(C)=C(O)C(C)C
InChIInChI=1S/C8H15NO2/c1-5(2)7(10)6(3)8(11)9-4/h5,10H,1-4H3,(H,9,11)
InChIKeyYRRQNDZYHXIHHZ-UHFFFAOYSA-N
XLogP1.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N,2,4-trimethylpent-2-enamide?
The IUPAC name of 3-hydroxy-N,2,4-trimethylpent-2-enamide (CID 141458418) is 3-hydroxy-N,2,4-trimethylpent-2-enamide.
What is the SMILES notation for 3-hydroxy-N,2,4-trimethylpent-2-enamide?
The canonical SMILES for 3-hydroxy-N,2,4-trimethylpent-2-enamide is CNC(=O)C(C)=C(O)C(C)C.
What is the InChIKey of 3-hydroxy-N,2,4-trimethylpent-2-enamide?
The InChIKey is YRRQNDZYHXIHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5(2)7(10)6(3)8(11)9-4/h5,10H,1-4H3,(H,9,11).
What are the key properties of 3-hydroxy-N,2,4-trimethylpent-2-enamide?
3-hydroxy-N,2,4-trimethylpent-2-enamide has a molecular weight of 157.21 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N,2,4-trimethylpent-2-enamide is sourced from PubChem (CID 141458418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).