N-[(1E)-1-hydroxybuta-1,3-dienyl]acetamide

C6H9NO2 — CID 89197729

IUPACN-[(1E)-1-hydroxybuta-1,3-dienyl]acetamide
SMILESC=C/C=C(/O)NC(C)=O
InChIInChI=1S/C6H9NO2/c1-3-4-6(9)7-5(2)8/h3-4,9H,1H2,2H3,(H,7,8)/b6-4+
InChIKeyOZTVRTWWLQZJCA-GQCTYLIASA-N
MW127.14 g/mol
LogP0.71
Rot. Bonds2

About N-[(1E)-1-hydroxybuta-1,3-dienyl]acetamide

N-[(1E)-1-hydroxybuta-1,3-dienyl]acetamide (PubChem CID 89197729) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is N-[(1E)-1-hydroxybuta-1,3-dienyl]acetamide.

Molecular Properties

Compound NameN-[(1E)-1-hydroxybuta-1,3-dienyl]acetamide
PubChem CID89197729
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC NameN-[(1E)-1-hydroxybuta-1,3-dienyl]acetamide
SMILESC=C/C=C(/O)NC(C)=O
InChIInChI=1S/C6H9NO2/c1-3-4-6(9)7-5(2)8/h3-4,9H,1H2,2H3,(H,7,8)/b6-4+
InChIKeyOZTVRTWWLQZJCA-GQCTYLIASA-N
XLogP0.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(1E)-1-hydroxybuta-1,3-dienyl]acetamide 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

tert-butyl N-[(1E)-1-hydroxybuta-1,3-dienyl]carbamate
CID 154986813
methyl (2E)-2-acetamidopenta-2,4-dienoate
CID 101173964
N-[(3E)-2-aminohexa-1,3,5-trien-3-yl]acetamide;ethane
CID 143930163
acetic acid;buta-1,3-diene-1,1-diol
CID 174422990
N-[(3Z)-3-ethylhexa-1,3,5-trien-2-yl]acetamide
CID 177208233
methane;methyl (2Z)-2-acetamidopenta-2,4-dienoate;methyl 2-acetamidoprop-2-enoate
CID 143525335
(4E)-4-methyl-3-oxohepta-4,6-dienoic acid
CID 88512756
4-oxo-4-[[(2E)-penta-2,4-dien-2-yl]amino]butanoic acid
CID 166824221
tris(N-acetylacetamide);gallane
CID 175572719
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]acetamide
CID 129215041
(2E,3Z)-3-methyl-2-prop-2-enylidenehexa-3,5-dienoic acid
CID 143334780
N-(1-ethenylboranylideneethyl)acetamide
CID 143580948

Frequently Asked Questions

What is the IUPAC name of N-[(1E)-1-hydroxybuta-1,3-dienyl]acetamide?
The IUPAC name of N-[(1E)-1-hydroxybuta-1,3-dienyl]acetamide (CID 89197729) is N-[(1E)-1-hydroxybuta-1,3-dienyl]acetamide.
What is the SMILES notation for N-[(1E)-1-hydroxybuta-1,3-dienyl]acetamide?
The canonical SMILES for N-[(1E)-1-hydroxybuta-1,3-dienyl]acetamide is C=C/C=C(/O)NC(C)=O.
What is the InChIKey of N-[(1E)-1-hydroxybuta-1,3-dienyl]acetamide?
The InChIKey is OZTVRTWWLQZJCA-GQCTYLIASA-N. The full InChI is InChI=1S/C6H9NO2/c1-3-4-6(9)7-5(2)8/h3-4,9H,1H2,2H3,(H,7,8)/b6-4+.
What are the key properties of N-[(1E)-1-hydroxybuta-1,3-dienyl]acetamide?
N-[(1E)-1-hydroxybuta-1,3-dienyl]acetamide has a molecular weight of 127.14 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-1-hydroxybuta-1,3-dienyl]acetamide is sourced from PubChem (CID 89197729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).