3,3-dimethyl-6-(2-methylpropanoyl)-2H-pyrrolo[3,2-c]pyridine-1-carboxylic acid

C14H18N2O3 — CID 70980384

IUPAC3,3-dimethyl-6-(2-methylpropanoyl)-2H-pyrrolo[3,2-c]pyridine-1-carboxylic acid
SMILESCC(C)C(=O)c1cc2c(cn1)C(C)(C)CN2C(=O)O
InChIInChI=1S/C14H18N2O3/c1-8(2)12(17)10-5-11-9(6-15-10)14(3,4)7-16(11)13(18)19/h5-6,8H,7H2,1-4H3,(H,18,19)
InChIKeyUGXCSQAZXYTZHS-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.70
Rot. Bonds2

About 3,3-dimethyl-6-(2-methylpropanoyl)-2H-pyrrolo[3,2-c]pyridine-1-carboxylic acid

3,3-dimethyl-6-(2-methylpropanoyl)-2H-pyrrolo[3,2-c]pyridine-1-carboxylic acid (PubChem CID 70980384) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3,3-dimethyl-6-(2-methylpropanoyl)-2H-pyrrolo[3,2-c]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3,3-dimethyl-6-(2-methylpropanoyl)-2H-pyrrolo[3,2-c]pyridine-1-carboxylic acid
PubChem CID70980384
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3,3-dimethyl-6-(2-methylpropanoyl)-2H-pyrrolo[3,2-c]pyridine-1-carboxylic acid
SMILESCC(C)C(=O)c1cc2c(cn1)C(C)(C)CN2C(=O)O
InChIInChI=1S/C14H18N2O3/c1-8(2)12(17)10-5-11-9(6-15-10)14(3,4)7-16(11)13(18)19/h5-6,8H,7H2,1-4H3,(H,18,19)
InChIKeyUGXCSQAZXYTZHS-UHFFFAOYSA-N
XLogP2.70
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-(2-methylpropanoyl)-2H-pyrrolo[3,2-c]pyridine-1-carboxylic acid?
The IUPAC name of 3,3-dimethyl-6-(2-methylpropanoyl)-2H-pyrrolo[3,2-c]pyridine-1-carboxylic acid (CID 70980384) is 3,3-dimethyl-6-(2-methylpropanoyl)-2H-pyrrolo[3,2-c]pyridine-1-carboxylic acid.
What is the SMILES notation for 3,3-dimethyl-6-(2-methylpropanoyl)-2H-pyrrolo[3,2-c]pyridine-1-carboxylic acid?
The canonical SMILES for 3,3-dimethyl-6-(2-methylpropanoyl)-2H-pyrrolo[3,2-c]pyridine-1-carboxylic acid is CC(C)C(=O)c1cc2c(cn1)C(C)(C)CN2C(=O)O.
What is the InChIKey of 3,3-dimethyl-6-(2-methylpropanoyl)-2H-pyrrolo[3,2-c]pyridine-1-carboxylic acid?
The InChIKey is UGXCSQAZXYTZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-8(2)12(17)10-5-11-9(6-15-10)14(3,4)7-16(11)13(18)19/h5-6,8H,7H2,1-4H3,(H,18,19).
What are the key properties of 3,3-dimethyl-6-(2-methylpropanoyl)-2H-pyrrolo[3,2-c]pyridine-1-carboxylic acid?
3,3-dimethyl-6-(2-methylpropanoyl)-2H-pyrrolo[3,2-c]pyridine-1-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-(2-methylpropanoyl)-2H-pyrrolo[3,2-c]pyridine-1-carboxylic acid is sourced from PubChem (CID 70980384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).