2,2-dimethyl-5-oxofuran-3-carboxamide

C7H9NO3 — CID 123657505

IUPAC2,2-dimethyl-5-oxofuran-3-carboxamide
SMILESCC1(C)OC(=O)C=C1C(N)=O
InChIInChI=1S/C7H9NO3/c1-7(2)4(6(8)10)3-5(9)11-7/h3H,1-2H3,(H2,8,10)
InChIKeyBTQIKKGAKFQDAF-UHFFFAOYSA-N
MW155.15 g/mol
LogP-0.27
Rot. Bonds1

About 2,2-dimethyl-5-oxofuran-3-carboxamide

2,2-dimethyl-5-oxofuran-3-carboxamide (PubChem CID 123657505) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 2,2-dimethyl-5-oxofuran-3-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-5-oxofuran-3-carboxamide
PubChem CID123657505
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name2,2-dimethyl-5-oxofuran-3-carboxamide
SMILESCC1(C)OC(=O)C=C1C(N)=O
InChIInChI=1S/C7H9NO3/c1-7(2)4(6(8)10)3-5(9)11-7/h3H,1-2H3,(H2,8,10)
InChIKeyBTQIKKGAKFQDAF-UHFFFAOYSA-N
XLogP-0.27
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-5,5-dimethylfuran-2-one
CID 86168060
5,5-dimethyl-4-pyrrolidin-1-ylfuran-2-one
CID 25247336
methyl 2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate
CID 46192660
6-oxo-2,3-dihydropyran-4-carboxamide
CID 55282040
N-(diaminomethylidene)-2,2-dimethylchromene-3-carboxamide
CID 10220496
1,1-dimethylindene-2-carboxamide
CID 174388236
4,5-diethyl-5-methylfuran-2-one
CID 21465719
4-(2-cyclohexylethyl)-5,5-dimethylfuran-2-one
CID 10822930
3-cyano-3-methyl-1,2-dihydropyrazole-4-carboxamide
CID 174963963
(2,2-dimethyl-3-oxo-1-benzofuran-7-yl) carbamate
CID 86138313
[3-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-2-oxopropyl] acetate
CID 22050786
6-(1-hydroperoxypropyl)-2,2-dimethyl-1,3-dioxin-4-one
CID 10608161

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-oxofuran-3-carboxamide?
The IUPAC name of 2,2-dimethyl-5-oxofuran-3-carboxamide (CID 123657505) is 2,2-dimethyl-5-oxofuran-3-carboxamide.
What is the SMILES notation for 2,2-dimethyl-5-oxofuran-3-carboxamide?
The canonical SMILES for 2,2-dimethyl-5-oxofuran-3-carboxamide is CC1(C)OC(=O)C=C1C(N)=O.
What is the InChIKey of 2,2-dimethyl-5-oxofuran-3-carboxamide?
The InChIKey is BTQIKKGAKFQDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-7(2)4(6(8)10)3-5(9)11-7/h3H,1-2H3,(H2,8,10).
What are the key properties of 2,2-dimethyl-5-oxofuran-3-carboxamide?
2,2-dimethyl-5-oxofuran-3-carboxamide has a molecular weight of 155.15 g/mol, XLogP of -0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-oxofuran-3-carboxamide is sourced from PubChem (CID 123657505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).