1,5-dimethylspiro[6,7-dihydroimidazo[4,5-c]pyridine-4,3'-oxetane]-2-carboxylic acid

C11H15N3O3 — CID 156705765

IUPAC1,5-dimethylspiro[6,7-dihydroimidazo[4,5-c]pyridine-4,3'-oxetane]-2-carboxylic acid
SMILESCN1CCc2c(nc(C(=O)O)n2C)C12COC2
InChIInChI=1S/C11H15N3O3/c1-13-4-3-7-8(11(13)5-17-6-11)12-9(10(15)16)14(7)2/h3-6H2,1-2H3,(H,15,16)
InChIKeyKBWQJWGGKGPBML-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.17
Rot. Bonds1

About 1,5-dimethylspiro[6,7-dihydroimidazo[4,5-c]pyridine-4,3'-oxetane]-2-carboxylic acid

1,5-dimethylspiro[6,7-dihydroimidazo[4,5-c]pyridine-4,3'-oxetane]-2-carboxylic acid (PubChem CID 156705765) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1,5-dimethylspiro[6,7-dihydroimidazo[4,5-c]pyridine-4,3'-oxetane]-2-carboxylic acid.

Molecular Properties

Compound Name1,5-dimethylspiro[6,7-dihydroimidazo[4,5-c]pyridine-4,3'-oxetane]-2-carboxylic acid
PubChem CID156705765
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1,5-dimethylspiro[6,7-dihydroimidazo[4,5-c]pyridine-4,3'-oxetane]-2-carboxylic acid
SMILESCN1CCc2c(nc(C(=O)O)n2C)C12COC2
InChIInChI=1S/C11H15N3O3/c1-13-4-3-7-8(11(13)5-17-6-11)12-9(10(15)16)14(7)2/h3-6H2,1-2H3,(H,15,16)
InChIKeyKBWQJWGGKGPBML-UHFFFAOYSA-N
XLogP-0.17
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylspiro[6,7-dihydroimidazo[4,5-c]pyridine-4,3'-oxetane]-2-carboxylic acid?
The IUPAC name of 1,5-dimethylspiro[6,7-dihydroimidazo[4,5-c]pyridine-4,3'-oxetane]-2-carboxylic acid (CID 156705765) is 1,5-dimethylspiro[6,7-dihydroimidazo[4,5-c]pyridine-4,3'-oxetane]-2-carboxylic acid.
What is the SMILES notation for 1,5-dimethylspiro[6,7-dihydroimidazo[4,5-c]pyridine-4,3'-oxetane]-2-carboxylic acid?
The canonical SMILES for 1,5-dimethylspiro[6,7-dihydroimidazo[4,5-c]pyridine-4,3'-oxetane]-2-carboxylic acid is CN1CCc2c(nc(C(=O)O)n2C)C12COC2.
What is the InChIKey of 1,5-dimethylspiro[6,7-dihydroimidazo[4,5-c]pyridine-4,3'-oxetane]-2-carboxylic acid?
The InChIKey is KBWQJWGGKGPBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-13-4-3-7-8(11(13)5-17-6-11)12-9(10(15)16)14(7)2/h3-6H2,1-2H3,(H,15,16).
What are the key properties of 1,5-dimethylspiro[6,7-dihydroimidazo[4,5-c]pyridine-4,3'-oxetane]-2-carboxylic acid?
1,5-dimethylspiro[6,7-dihydroimidazo[4,5-c]pyridine-4,3'-oxetane]-2-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of -0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylspiro[6,7-dihydroimidazo[4,5-c]pyridine-4,3'-oxetane]-2-carboxylic acid is sourced from PubChem (CID 156705765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).