1-(cyclopropylmethyl)-6-(2-ethoxyethyl)pyrrolo[2,3-c]pyridin-7-one

C15H20N2O2 — CID 53164580

IUPAC1-(cyclopropylmethyl)-6-(2-ethoxyethyl)pyrrolo[2,3-c]pyridin-7-one
SMILESCCOCCn1ccc2ccn(CC3CC3)c2c1=O
InChIInChI=1S/C15H20N2O2/c1-2-19-10-9-16-7-5-13-6-8-17(11-12-3-4-12)14(13)15(16)18/h5-8,12H,2-4,9-11H2,1H3
InChIKeyZDIABWQTEMPPSJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.25
Rot. Bonds6

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

1-(cyclopropylmethyl)-6-(2-ethoxyethyl)pyrrolo[2,3-c]pyridin-7-one (PubChem CID 53164580) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-6-(2-ethoxyethyl)pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-6-(2-ethoxyethyl)pyrrolo[2,3-c]pyridin-7-one
PubChem CID53164580
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(cyclopropylmethyl)-6-(2-ethoxyethyl)pyrrolo[2,3-c]pyridin-7-one
SMILESCCOCCn1ccc2ccn(CC3CC3)c2c1=O
InChIInChI=1S/C15H20N2O2/c1-2-19-10-9-16-7-5-13-6-8-17(11-12-3-4-12)14(13)15(16)18/h5-8,12H,2-4,9-11H2,1H3
InChIKeyZDIABWQTEMPPSJ-UHFFFAOYSA-N
XLogP2.25
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-6-(2-ethoxyethyl)pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 1-(cyclopropylmethyl)-6-(2-ethoxyethyl)pyrrolo[2,3-c]pyridin-7-one (CID 53164580) is 1-(cyclopropylmethyl)-6-(2-ethoxyethyl)pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-6-(2-ethoxyethyl)pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 1-(cyclopropylmethyl)-6-(2-ethoxyethyl)pyrrolo[2,3-c]pyridin-7-one is CCOCCn1ccc2ccn(CC3CC3)c2c1=O.
What is the InChIKey of 1-(cyclopropylmethyl)-6-(2-ethoxyethyl)pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is ZDIABWQTEMPPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-19-10-9-16-7-5-13-6-8-17(11-12-3-4-12)14(13)15(16)18/h5-8,12H,2-4,9-11H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-6-(2-ethoxyethyl)pyrrolo[2,3-c]pyridin-7-one?
1-(cyclopropylmethyl)-6-(2-ethoxyethyl)pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 260.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-6-(2-ethoxyethyl)pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 53164580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).