(E)-4-hydroxy-N,2,4-trimethylpent-2-enamide

C8H15NO2 — CID 140901485

IUPAC(E)-4-hydroxy-N,2,4-trimethylpent-2-enamide
SMILESCNC(=O)/C(C)=C/C(C)(C)O
InChIInChI=1S/C8H15NO2/c1-6(7(10)9-4)5-8(2,3)11/h5,11H,1-4H3,(H,9,10)/b6-5+
InChIKeyYXMXPCMYZHHACE-AATRIKPKSA-N
MW157.21 g/mol
LogP0.45
Rot. Bonds2

About (E)-4-hydroxy-N,2,4-trimethylpent-2-enamide

(E)-4-hydroxy-N,2,4-trimethylpent-2-enamide (PubChem CID 140901485) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (E)-4-hydroxy-N,2,4-trimethylpent-2-enamide.

Molecular Properties

Compound Name(E)-4-hydroxy-N,2,4-trimethylpent-2-enamide
PubChem CID140901485
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(E)-4-hydroxy-N,2,4-trimethylpent-2-enamide
SMILESCNC(=O)/C(C)=C/C(C)(C)O
InChIInChI=1S/C8H15NO2/c1-6(7(10)9-4)5-8(2,3)11/h5,11H,1-4H3,(H,9,10)/b6-5+
InChIKeyYXMXPCMYZHHACE-AATRIKPKSA-N
XLogP0.45
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 ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-hydroxy-N,2,4-trimethylpent-2-enamide?
The IUPAC name of (E)-4-hydroxy-N,2,4-trimethylpent-2-enamide (CID 140901485) is (E)-4-hydroxy-N,2,4-trimethylpent-2-enamide.
What is the SMILES notation for (E)-4-hydroxy-N,2,4-trimethylpent-2-enamide?
The canonical SMILES for (E)-4-hydroxy-N,2,4-trimethylpent-2-enamide is CNC(=O)/C(C)=C/C(C)(C)O.
What is the InChIKey of (E)-4-hydroxy-N,2,4-trimethylpent-2-enamide?
The InChIKey is YXMXPCMYZHHACE-AATRIKPKSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(7(10)9-4)5-8(2,3)11/h5,11H,1-4H3,(H,9,10)/b6-5+.
What are the key properties of (E)-4-hydroxy-N,2,4-trimethylpent-2-enamide?
(E)-4-hydroxy-N,2,4-trimethylpent-2-enamide has a molecular weight of 157.21 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-hydroxy-N,2,4-trimethylpent-2-enamide is sourced from PubChem (CID 140901485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).