1-(2-methoxyethyl)-6H-pyrrolo[2,3-c]pyridin-7-one

C10H12N2O2 — CID 53164548

IUPAC1-(2-methoxyethyl)-6H-pyrrolo[2,3-c]pyridin-7-one
SMILESCOCCn1ccc2cc[nH]c(=O)c21
InChIInChI=1S/C10H12N2O2/c1-14-7-6-12-5-3-8-2-4-11-10(13)9(8)12/h2-5H,6-7H2,1H3,(H,11,13)
InChIKeyMYYFEJCPCUFMDV-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.98
Rot. Bonds3

About 1-(2-methoxyethyl)-6H-pyrrolo[2,3-c]pyridin-7-one

1-(2-methoxyethyl)-6H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 53164548) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-6H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-6H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID53164548
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name1-(2-methoxyethyl)-6H-pyrrolo[2,3-c]pyridin-7-one
SMILESCOCCn1ccc2cc[nH]c(=O)c21
InChIInChI=1S/C10H12N2O2/c1-14-7-6-12-5-3-8-2-4-11-10(13)9(8)12/h2-5H,6-7H2,1H3,(H,11,13)
InChIKeyMYYFEJCPCUFMDV-UHFFFAOYSA-N
XLogP0.98
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-6H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 1-(2-methoxyethyl)-6H-pyrrolo[2,3-c]pyridin-7-one (CID 53164548) is 1-(2-methoxyethyl)-6H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 1-(2-methoxyethyl)-6H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 1-(2-methoxyethyl)-6H-pyrrolo[2,3-c]pyridin-7-one is COCCn1ccc2cc[nH]c(=O)c21.
What is the InChIKey of 1-(2-methoxyethyl)-6H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is MYYFEJCPCUFMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-14-7-6-12-5-3-8-2-4-11-10(13)9(8)12/h2-5H,6-7H2,1H3,(H,11,13).
What are the key properties of 1-(2-methoxyethyl)-6H-pyrrolo[2,3-c]pyridin-7-one?
1-(2-methoxyethyl)-6H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 192.22 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-6H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 53164548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).