1-(cyclobutadienyl)-6-methoxy-3H-pyrrolo[2,3-b]pyridin-2-one

C12H10N2O2 — CID 66734444

IUPAC1-(cyclobutadienyl)-6-methoxy-3H-pyrrolo[2,3-b]pyridin-2-one
SMILESCOc1ccc2c(n1)N(C1=CC=C1)C(=O)C2
InChIInChI=1S/C12H10N2O2/c1-16-10-6-5-8-7-11(15)14(12(8)13-10)9-3-2-4-9/h2-6H,7H2,1H3
InChIKeyJAMUUTSFNGRMOY-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.43
Rot. Bonds2

About 1-(cyclobutadienyl)-6-methoxy-3H-pyrrolo[2,3-b]pyridin-2-one

1-(cyclobutadienyl)-6-methoxy-3H-pyrrolo[2,3-b]pyridin-2-one (PubChem CID 66734444) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 1-(cyclobutadienyl)-6-methoxy-3H-pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name1-(cyclobutadienyl)-6-methoxy-3H-pyrrolo[2,3-b]pyridin-2-one
PubChem CID66734444
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name1-(cyclobutadienyl)-6-methoxy-3H-pyrrolo[2,3-b]pyridin-2-one
SMILESCOc1ccc2c(n1)N(C1=CC=C1)C(=O)C2
InChIInChI=1S/C12H10N2O2/c1-16-10-6-5-8-7-11(15)14(12(8)13-10)9-3-2-4-9/h2-6H,7H2,1H3
InChIKeyJAMUUTSFNGRMOY-UHFFFAOYSA-N
XLogP1.43
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutadienyl)-6-methoxy-3H-pyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 1-(cyclobutadienyl)-6-methoxy-3H-pyrrolo[2,3-b]pyridin-2-one (CID 66734444) is 1-(cyclobutadienyl)-6-methoxy-3H-pyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 1-(cyclobutadienyl)-6-methoxy-3H-pyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 1-(cyclobutadienyl)-6-methoxy-3H-pyrrolo[2,3-b]pyridin-2-one is COc1ccc2c(n1)N(C1=CC=C1)C(=O)C2.
What is the InChIKey of 1-(cyclobutadienyl)-6-methoxy-3H-pyrrolo[2,3-b]pyridin-2-one?
The InChIKey is JAMUUTSFNGRMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-16-10-6-5-8-7-11(15)14(12(8)13-10)9-3-2-4-9/h2-6H,7H2,1H3.
What are the key properties of 1-(cyclobutadienyl)-6-methoxy-3H-pyrrolo[2,3-b]pyridin-2-one?
1-(cyclobutadienyl)-6-methoxy-3H-pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 214.22 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutadienyl)-6-methoxy-3H-pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 66734444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).