1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridine-3-carboxylic acid

C12H12N2O2 — CID 155688328

IUPAC1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CC2CC2)c2cnccc12
InChIInChI=1S/C12H12N2O2/c15-12(16)10-7-14(6-8-1-2-8)11-5-13-4-3-9(10)11/h3-5,7-8H,1-2,6H2,(H,15,16)
InChIKeyORIUYPDKXLGBKZ-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.14
Rot. Bonds3

About 1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridine-3-carboxylic acid

1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridine-3-carboxylic acid (PubChem CID 155688328) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridine-3-carboxylic acid
PubChem CID155688328
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CC2CC2)c2cnccc12
InChIInChI=1S/C12H12N2O2/c15-12(16)10-7-14(6-8-1-2-8)11-5-13-4-3-9(10)11/h3-5,7-8H,1-2,6H2,(H,15,16)
InChIKeyORIUYPDKXLGBKZ-UHFFFAOYSA-N
XLogP2.14
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridine-3-carboxylic acid (CID 155688328) is 1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridine-3-carboxylic acid is O=C(O)c1cn(CC2CC2)c2cnccc12.
What is the InChIKey of 1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridine-3-carboxylic acid?
The InChIKey is ORIUYPDKXLGBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-12(16)10-7-14(6-8-1-2-8)11-5-13-4-3-9(10)11/h3-5,7-8H,1-2,6H2,(H,15,16).
What are the key properties of 1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridine-3-carboxylic acid?
1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridine-3-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 155688328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).