ethyl 6,6-dimethyl-3-oxo-2H-pyridine-1-carboxylate

C10H15NO3 — CID 10899581

IUPACethyl 6,6-dimethyl-3-oxo-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1CC(=O)C=CC1(C)C
InChIInChI=1S/C10H15NO3/c1-4-14-9(13)11-7-8(12)5-6-10(11,2)3/h5-6H,4,7H2,1-3H3
InChIKeyRADJQNXYZKZARV-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.36
Rot. Bonds1

About ethyl 6,6-dimethyl-3-oxo-2H-pyridine-1-carboxylate

ethyl 6,6-dimethyl-3-oxo-2H-pyridine-1-carboxylate (PubChem CID 10899581) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is ethyl 6,6-dimethyl-3-oxo-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 6,6-dimethyl-3-oxo-2H-pyridine-1-carboxylate
PubChem CID10899581
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameethyl 6,6-dimethyl-3-oxo-2H-pyridine-1-carboxylate
SMILESCCOC(=O)N1CC(=O)C=CC1(C)C
InChIInChI=1S/C10H15NO3/c1-4-14-9(13)11-7-8(12)5-6-10(11,2)3/h5-6H,4,7H2,1-3H3
InChIKeyRADJQNXYZKZARV-UHFFFAOYSA-N
XLogP1.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 6,6-dimethyl-3-oxo-2H-pyridine-1-carboxylate?
The IUPAC name of ethyl 6,6-dimethyl-3-oxo-2H-pyridine-1-carboxylate (CID 10899581) is ethyl 6,6-dimethyl-3-oxo-2H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl 6,6-dimethyl-3-oxo-2H-pyridine-1-carboxylate?
The canonical SMILES for ethyl 6,6-dimethyl-3-oxo-2H-pyridine-1-carboxylate is CCOC(=O)N1CC(=O)C=CC1(C)C.
What is the InChIKey of ethyl 6,6-dimethyl-3-oxo-2H-pyridine-1-carboxylate?
The InChIKey is RADJQNXYZKZARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-4-14-9(13)11-7-8(12)5-6-10(11,2)3/h5-6H,4,7H2,1-3H3.
What are the key properties of ethyl 6,6-dimethyl-3-oxo-2H-pyridine-1-carboxylate?
ethyl 6,6-dimethyl-3-oxo-2H-pyridine-1-carboxylate has a molecular weight of 197.23 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,6-dimethyl-3-oxo-2H-pyridine-1-carboxylate is sourced from PubChem (CID 10899581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).