N,3-dimethyl-4-oxopyran-2-carboxamide

C8H9NO3 — CID 59227363

IUPACN,3-dimethyl-4-oxopyran-2-carboxamide
SMILESCNC(=O)c1occc(=O)c1C
InChIInChI=1S/C8H9NO3/c1-5-6(10)3-4-12-7(5)8(11)9-2/h3-4H,1-2H3,(H,9,11)
InChIKeyJJDNBCBPQWCFDM-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.31
Rot. Bonds1

About N,3-dimethyl-4-oxopyran-2-carboxamide

N,3-dimethyl-4-oxopyran-2-carboxamide (PubChem CID 59227363) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is N,3-dimethyl-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-4-oxopyran-2-carboxamide
PubChem CID59227363
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC NameN,3-dimethyl-4-oxopyran-2-carboxamide
SMILESCNC(=O)c1occc(=O)c1C
InChIInChI=1S/C8H9NO3/c1-5-6(10)3-4-12-7(5)8(11)9-2/h3-4H,1-2H3,(H,9,11)
InChIKeyJJDNBCBPQWCFDM-UHFFFAOYSA-N
XLogP0.31
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,3,5,6-tetramethyl-4-oxopyran-2-carboxamide
CID 20716494
N-methanidyl-3-methyl-4-oxopyran-2-carboxamide;yttrium
CID 59227362
N-methyl-4H-pyran-2-carboxamide
CID 142682969
5-methyl-3-[(Z)-prop-1-enoxy]-1H-pyridin-2-one
CID 144442384
4-oxo-N-propan-2-ylpyran-2-carboxamide
CID 171049178
N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
CID 82064659
3-Methoxy-2-(methylaminomethyl)pyran-4-one
CID 112712057
N-(2-methylprop-2-enyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 130611407
5-methoxy-N-methyl-4-oxopyran-2-carboxamide
CID 130652262
N-methyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 131155177
N,6-dimethyl-4-oxo-4H-pyran-2-carboxamide
CID 145943249
2-(2-ethyl-4-oxopyran-3-yl)oxy-N-methylacetamide
CID 167941602

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-oxopyran-2-carboxamide?
The IUPAC name of N,3-dimethyl-4-oxopyran-2-carboxamide (CID 59227363) is N,3-dimethyl-4-oxopyran-2-carboxamide.
What is the SMILES notation for N,3-dimethyl-4-oxopyran-2-carboxamide?
The canonical SMILES for N,3-dimethyl-4-oxopyran-2-carboxamide is CNC(=O)c1occc(=O)c1C.
What is the InChIKey of N,3-dimethyl-4-oxopyran-2-carboxamide?
The InChIKey is JJDNBCBPQWCFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-5-6(10)3-4-12-7(5)8(11)9-2/h3-4H,1-2H3,(H,9,11).
What are the key properties of N,3-dimethyl-4-oxopyran-2-carboxamide?
N,3-dimethyl-4-oxopyran-2-carboxamide has a molecular weight of 167.16 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-oxopyran-2-carboxamide is sourced from PubChem (CID 59227363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).