2-hydroxy-2,5-dimethylhex-4-enamide

C8H15NO2 — CID 140574354

IUPAC2-hydroxy-2,5-dimethylhex-4-enamide
SMILESCC(C)=CCC(C)(O)C(N)=O
InChIInChI=1S/C8H15NO2/c1-6(2)4-5-8(3,11)7(9)10/h4,11H,5H2,1-3H3,(H2,9,10)
InChIKeyCDWCLISDWANIKT-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.58
Rot. Bonds3

About 2-hydroxy-2,5-dimethylhex-4-enamide

2-hydroxy-2,5-dimethylhex-4-enamide (PubChem CID 140574354) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-hydroxy-2,5-dimethylhex-4-enamide.

Molecular Properties

Compound Name2-hydroxy-2,5-dimethylhex-4-enamide
PubChem CID140574354
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-hydroxy-2,5-dimethylhex-4-enamide
SMILESCC(C)=CCC(C)(O)C(N)=O
InChIInChI=1S/C8H15NO2/c1-6(2)4-5-8(3,11)7(9)10/h4,11H,5H2,1-3H3,(H2,9,10)
InChIKeyCDWCLISDWANIKT-UHFFFAOYSA-N
XLogP0.58
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-3-bromo-2-hydroxy-2-methylpropanamide
CID 88906751
(3S)-4,4-difluoro-3,7-dimethylocta-1,6-dien-3-ol
CID 101113458
2-fluoro-2-(3-methylbut-2-enyl)propanedioic acid
CID 122239916
(3R)-3-ethyl-3,6-dimethylhept-5-en-2-one
CID 118389184
methyl 2,2,5-trimethylhex-4-enoate
CID 550269
(3R)-3,6-dimethylhept-5-ene-1,3-diol
CID 154719567
5,5,5-trihydroxy-2-methylpent-2-enamide
CID 173294065
4,7-dimethylocta-1,6-dien-4-ol
CID 537672
3,6-dimethylhept-5-en-1-yn-3-ol
CID 154089288
5-ethyl-2,5-dimethylhept-2-ene
CID 123530387
(2R)-2-hydroxy-2-methyl-3-phenylpropanamide
CID 11389739
(4Z)-7-hydroxy-2,2,5-trimethylhepta-4,6-dienamide
CID 177166847

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2,5-dimethylhex-4-enamide?
The IUPAC name of 2-hydroxy-2,5-dimethylhex-4-enamide (CID 140574354) is 2-hydroxy-2,5-dimethylhex-4-enamide.
What is the SMILES notation for 2-hydroxy-2,5-dimethylhex-4-enamide?
The canonical SMILES for 2-hydroxy-2,5-dimethylhex-4-enamide is CC(C)=CCC(C)(O)C(N)=O.
What is the InChIKey of 2-hydroxy-2,5-dimethylhex-4-enamide?
The InChIKey is CDWCLISDWANIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(2)4-5-8(3,11)7(9)10/h4,11H,5H2,1-3H3,(H2,9,10).
What are the key properties of 2-hydroxy-2,5-dimethylhex-4-enamide?
2-hydroxy-2,5-dimethylhex-4-enamide has a molecular weight of 157.21 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2,5-dimethylhex-4-enamide is sourced from PubChem (CID 140574354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).