1-cyclobutyl-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one

C12H14N2O — CID 102942272

IUPAC1-cyclobutyl-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
SMILESCc1cc2ccn(C3CCC3)c2c(=O)[nH]1
InChIInChI=1S/C12H14N2O/c1-8-7-9-5-6-14(10-3-2-4-10)11(9)12(15)13-8/h5-7,10H,2-4H2,1H3,(H,13,15)
InChIKeyOPRAJGWZQWVEEF-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.36
Rot. Bonds1

About 1-cyclobutyl-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one

1-cyclobutyl-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 102942272) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-cyclobutyl-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name1-cyclobutyl-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID102942272
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-cyclobutyl-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
SMILESCc1cc2ccn(C3CCC3)c2c(=O)[nH]1
InChIInChI=1S/C12H14N2O/c1-8-7-9-5-6-14(10-3-2-4-10)11(9)12(15)13-8/h5-7,10H,2-4H2,1H3,(H,13,15)
InChIKeyOPRAJGWZQWVEEF-UHFFFAOYSA-N
XLogP2.36
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 1-cyclobutyl-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one (CID 102942272) is 1-cyclobutyl-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 1-cyclobutyl-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 1-cyclobutyl-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one is Cc1cc2ccn(C3CCC3)c2c(=O)[nH]1.
What is the InChIKey of 1-cyclobutyl-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is OPRAJGWZQWVEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8-7-9-5-6-14(10-3-2-4-10)11(9)12(15)13-8/h5-7,10H,2-4H2,1H3,(H,13,15).
What are the key properties of 1-cyclobutyl-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one?
1-cyclobutyl-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 202.26 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 102942272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).