4-oxo-N-propan-2-ylpyran-2-carboxamide

C9H11NO3 — CID 171049178

IUPAC4-oxo-N-propan-2-ylpyran-2-carboxamide
SMILESCC(C)NC(=O)c1cc(=O)cco1
InChIInChI=1S/C9H11NO3/c1-6(2)10-9(12)8-5-7(11)3-4-13-8/h3-6H,1-2H3,(H,10,12)
InChIKeyNIHFIZRTUFKJLS-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.78
Rot. Bonds2

About 4-oxo-N-propan-2-ylpyran-2-carboxamide

4-oxo-N-propan-2-ylpyran-2-carboxamide (PubChem CID 171049178) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-oxo-N-propan-2-ylpyran-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-propan-2-ylpyran-2-carboxamide
PubChem CID171049178
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name4-oxo-N-propan-2-ylpyran-2-carboxamide
SMILESCC(C)NC(=O)c1cc(=O)cco1
InChIInChI=1S/C9H11NO3/c1-6(2)10-9(12)8-5-7(11)3-4-13-8/h3-6H,1-2H3,(H,10,12)
InChIKeyNIHFIZRTUFKJLS-UHFFFAOYSA-N
XLogP0.78
TPSA59.31 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 ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-oxo-N-propan-2-ylpyran-2-carboxamide 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

N-[(5-hydroxy-4-oxopyran-2-yl)methyl]acetamide
CID 90672508
N-ethyl-3-hydroxy-4-oxo-4H-pyran-2-carboxamide
CID 54748756
6-Methyl-3-ethoxy-5,6-dihydro-2-pyridinol
CID 134612800
N-(2-fluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 127017391
N-(1-fluoropropan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 130708560
N-cyclopropyl-5-methoxy-4-oxo-4H-pyran-2-carboxamide
CID 27378251
(E)-N-(2-methoxyethyl)-4-oxopent-2-enamide
CID 129091866
N-methyl-4H-pyran-2-carboxamide
CID 142682969
3-hydroxy-4-oxo-N-propylpyran-2-carboxamide
CID 143761978
ethane;5-[(2E)-hepta-2,6-dienoxy]-2-methyl-2,3-dihydro-1H-pyridin-6-one
CID 144245089
N-ethyl-2-methyl-2,3-dihydrofuran-5-carboxamide
CID 164015740
(6Z,10Z,12Z,14Z)-1-oxa-4-azacyclopentadeca-6,10,12,14-tetraene-3,8-dione
CID 168069475

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-propan-2-ylpyran-2-carboxamide?
The IUPAC name of 4-oxo-N-propan-2-ylpyran-2-carboxamide (CID 171049178) is 4-oxo-N-propan-2-ylpyran-2-carboxamide.
What is the SMILES notation for 4-oxo-N-propan-2-ylpyran-2-carboxamide?
The canonical SMILES for 4-oxo-N-propan-2-ylpyran-2-carboxamide is CC(C)NC(=O)c1cc(=O)cco1.
What is the InChIKey of 4-oxo-N-propan-2-ylpyran-2-carboxamide?
The InChIKey is NIHFIZRTUFKJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6(2)10-9(12)8-5-7(11)3-4-13-8/h3-6H,1-2H3,(H,10,12).
What are the key properties of 4-oxo-N-propan-2-ylpyran-2-carboxamide?
4-oxo-N-propan-2-ylpyran-2-carboxamide has a molecular weight of 181.19 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-propan-2-ylpyran-2-carboxamide is sourced from PubChem (CID 171049178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).