6-hydroxy-2-methyl-4-oxohex-2-enamide

C7H11NO3 — CID 140528223

IUPAC6-hydroxy-2-methyl-4-oxohex-2-enamide
SMILESCC(=CC(=O)CCO)C(N)=O
InChIInChI=1S/C7H11NO3/c1-5(7(8)11)4-6(10)2-3-9/h4,9H,2-3H2,1H3,(H2,8,11)
InChIKeyRCGVCOYZYYZEQE-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.63
Rot. Bonds4

About 6-hydroxy-2-methyl-4-oxohex-2-enamide

6-hydroxy-2-methyl-4-oxohex-2-enamide (PubChem CID 140528223) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 6-hydroxy-2-methyl-4-oxohex-2-enamide.

Molecular Properties

Compound Name6-hydroxy-2-methyl-4-oxohex-2-enamide
PubChem CID140528223
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name6-hydroxy-2-methyl-4-oxohex-2-enamide
SMILESCC(=CC(=O)CCO)C(N)=O
InChIInChI=1S/C7H11NO3/c1-5(7(8)11)4-6(10)2-3-9/h4,9H,2-3H2,1H3,(H2,8,11)
InChIKeyRCGVCOYZYYZEQE-UHFFFAOYSA-N
XLogP-0.63
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-hydroxy-2-methyl-4-oxohex-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-oxotridec-2-enamide
CID 141089964
(2E,4Z)-2,4-dimethylhexa-2,4-dienamide
CID 143679852
2,4-dimethylhepta-2,4-dienamide
CID 90684610
2-methyl-4-methylidenehex-2-enamide
CID 123970755
azanium 4-amino-3-methyl-4-oxobut-2-enoate
CID 57371237
(2E)-4-chloro-2-methylpenta-2,4-dienamide
CID 88966274
11-hydroxy-2-methylundec-2-enamide
CID 141296717
2-hydroxyethyl 2-methyl-4,8-dioxooct-2-enoate
CID 173185254
2-methylpent-2-enamide
CID 66895957
3-fluoro-2-methylprop-2-enamide
CID 140678662
(2E,4E,6R)-2,4,6-trimethyldeca-2,4-dienamide
CID 162953444
formaldehyde;2-methyl-4-oxohept-2-enoic acid
CID 88664634

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-methyl-4-oxohex-2-enamide?
The IUPAC name of 6-hydroxy-2-methyl-4-oxohex-2-enamide (CID 140528223) is 6-hydroxy-2-methyl-4-oxohex-2-enamide.
What is the SMILES notation for 6-hydroxy-2-methyl-4-oxohex-2-enamide?
The canonical SMILES for 6-hydroxy-2-methyl-4-oxohex-2-enamide is CC(=CC(=O)CCO)C(N)=O.
What is the InChIKey of 6-hydroxy-2-methyl-4-oxohex-2-enamide?
The InChIKey is RCGVCOYZYYZEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-5(7(8)11)4-6(10)2-3-9/h4,9H,2-3H2,1H3,(H2,8,11).
What are the key properties of 6-hydroxy-2-methyl-4-oxohex-2-enamide?
6-hydroxy-2-methyl-4-oxohex-2-enamide has a molecular weight of 157.17 g/mol, XLogP of -0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-methyl-4-oxohex-2-enamide is sourced from PubChem (CID 140528223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).