N-[1-(4-oxo-2,3-dihydropyran-2-yl)ethenyl]acetamide

C9H11NO3 — CID 11435312

IUPACN-[1-(4-oxo-2,3-dihydropyran-2-yl)ethenyl]acetamide
SMILESC=C(NC(C)=O)C1CC(=O)C=CO1
InChIInChI=1S/C9H11NO3/c1-6(10-7(2)11)9-5-8(12)3-4-13-9/h3-4,9H,1,5H2,2H3,(H,10,11)
InChIKeyXAKJHLQUCRXKNT-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.51
Rot. Bonds2

About N-[1-(4-oxo-2,3-dihydropyran-2-yl)ethenyl]acetamide

N-[1-(4-oxo-2,3-dihydropyran-2-yl)ethenyl]acetamide (PubChem CID 11435312) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-[1-(4-oxo-2,3-dihydropyran-2-yl)ethenyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-oxo-2,3-dihydropyran-2-yl)ethenyl]acetamide
PubChem CID11435312
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC NameN-[1-(4-oxo-2,3-dihydropyran-2-yl)ethenyl]acetamide
SMILESC=C(NC(C)=O)C1CC(=O)C=CO1
InChIInChI=1S/C9H11NO3/c1-6(10-7(2)11)9-5-8(12)3-4-13-9/h3-4,9H,1,5H2,2H3,(H,10,11)
InChIKeyXAKJHLQUCRXKNT-UHFFFAOYSA-N
XLogP0.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-oxo-2,3-dihydropyran-2-yl)ethenyl]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

ethyl (2R)-4-oxo-2,3-dihydropyran-2-carboxylate
CID 86331891
(2R)-2-(naphthalene-1-carbonyl)-2,3-dihydropyran-4-one
CID 177480692
4-prop-1-en-2-ylcyclopent-2-en-1-one
CID 168900323
methyl 4-[(2R)-4-oxo-2,3-dihydropyran-2-yl]butanoate
CID 11550178
4-acetylcyclopent-2-en-1-one
CID 16753251
(2S)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylic acid
CID 93493214
(4R)-4-hydroxycyclopent-2-en-1-one
CID 6558436
(2R)-2-[(2R,5S,6S)-5-methyl-6-[(2S,3S,6R)-3-methyl-6-[(2R)-4-oxo-2,3-dihydropyran-2-yl]oxan-2-yl]oxan-2-yl]-2,3-dihydropyran-4-one
CID 10668123
tris(N-acetylacetamide);gallane
CID 175572719
2-[(2S)-2,6-dimethylhept-5-enyl]-2,3-dihydropyran-4-one
CID 101184082
(2S)-2-[(1E,3E)-penta-1,3-dienyl]-2,3-dihydropyran-4-one
CID 14859707
methyl (5-oxo-2H-pyran-2-yl) carbonate
CID 14474060

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-oxo-2,3-dihydropyran-2-yl)ethenyl]acetamide?
The IUPAC name of N-[1-(4-oxo-2,3-dihydropyran-2-yl)ethenyl]acetamide (CID 11435312) is N-[1-(4-oxo-2,3-dihydropyran-2-yl)ethenyl]acetamide.
What is the SMILES notation for N-[1-(4-oxo-2,3-dihydropyran-2-yl)ethenyl]acetamide?
The canonical SMILES for N-[1-(4-oxo-2,3-dihydropyran-2-yl)ethenyl]acetamide is C=C(NC(C)=O)C1CC(=O)C=CO1.
What is the InChIKey of N-[1-(4-oxo-2,3-dihydropyran-2-yl)ethenyl]acetamide?
The InChIKey is XAKJHLQUCRXKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6(10-7(2)11)9-5-8(12)3-4-13-9/h3-4,9H,1,5H2,2H3,(H,10,11).
What are the key properties of N-[1-(4-oxo-2,3-dihydropyran-2-yl)ethenyl]acetamide?
N-[1-(4-oxo-2,3-dihydropyran-2-yl)ethenyl]acetamide has a molecular weight of 181.19 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-oxo-2,3-dihydropyran-2-yl)ethenyl]acetamide is sourced from PubChem (CID 11435312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).