1-cyclopropyl-4,5-dimethyl-2-oxopyridine-3-carboxylic acid

C11H13NO3 — CID 82112948

IUPAC1-cyclopropyl-4,5-dimethyl-2-oxopyridine-3-carboxylic acid
SMILESCc1cn(C2CC2)c(=O)c(C(=O)O)c1C
InChIInChI=1S/C11H13NO3/c1-6-5-12(8-3-4-8)10(13)9(7(6)2)11(14)15/h5,8H,3-4H2,1-2H3,(H,14,15)
InChIKeyNMTCKGCOSMMZSF-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.50
Rot. Bonds2

About 1-cyclopropyl-4,5-dimethyl-2-oxopyridine-3-carboxylic acid

1-cyclopropyl-4,5-dimethyl-2-oxopyridine-3-carboxylic acid (PubChem CID 82112948) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-cyclopropyl-4,5-dimethyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-4,5-dimethyl-2-oxopyridine-3-carboxylic acid
PubChem CID82112948
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name1-cyclopropyl-4,5-dimethyl-2-oxopyridine-3-carboxylic acid
SMILESCc1cn(C2CC2)c(=O)c(C(=O)O)c1C
InChIInChI=1S/C11H13NO3/c1-6-5-12(8-3-4-8)10(13)9(7(6)2)11(14)15/h5,8H,3-4H2,1-2H3,(H,14,15)
InChIKeyNMTCKGCOSMMZSF-UHFFFAOYSA-N
XLogP1.50
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4,5-dimethyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-4,5-dimethyl-2-oxopyridine-3-carboxylic acid (CID 82112948) is 1-cyclopropyl-4,5-dimethyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-4,5-dimethyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-4,5-dimethyl-2-oxopyridine-3-carboxylic acid is Cc1cn(C2CC2)c(=O)c(C(=O)O)c1C.
What is the InChIKey of 1-cyclopropyl-4,5-dimethyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is NMTCKGCOSMMZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-6-5-12(8-3-4-8)10(13)9(7(6)2)11(14)15/h5,8H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 1-cyclopropyl-4,5-dimethyl-2-oxopyridine-3-carboxylic acid?
1-cyclopropyl-4,5-dimethyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4,5-dimethyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 82112948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).