1,3,3-triethylpyrrolo[3,2-c]pyridin-2-one

C13H18N2O — CID 59565017

IUPAC1,3,3-triethylpyrrolo[3,2-c]pyridin-2-one
SMILESCCN1C(=O)C(CC)(CC)c2cnccc21
InChIInChI=1S/C13H18N2O/c1-4-13(5-2)10-9-14-8-7-11(10)15(6-3)12(13)16/h7-9H,4-6H2,1-3H3
InChIKeyIDYPKKJHCGUDJH-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.51
Rot. Bonds3

About 1,3,3-triethylpyrrolo[3,2-c]pyridin-2-one

1,3,3-triethylpyrrolo[3,2-c]pyridin-2-one (PubChem CID 59565017) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1,3,3-triethylpyrrolo[3,2-c]pyridin-2-one.

Molecular Properties

Compound Name1,3,3-triethylpyrrolo[3,2-c]pyridin-2-one
PubChem CID59565017
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1,3,3-triethylpyrrolo[3,2-c]pyridin-2-one
SMILESCCN1C(=O)C(CC)(CC)c2cnccc21
InChIInChI=1S/C13H18N2O/c1-4-13(5-2)10-9-14-8-7-11(10)15(6-3)12(13)16/h7-9H,4-6H2,1-3H3
InChIKeyIDYPKKJHCGUDJH-UHFFFAOYSA-N
XLogP2.51
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-triethylpyrrolo[3,2-c]pyridin-2-one?
The IUPAC name of 1,3,3-triethylpyrrolo[3,2-c]pyridin-2-one (CID 59565017) is 1,3,3-triethylpyrrolo[3,2-c]pyridin-2-one.
What is the SMILES notation for 1,3,3-triethylpyrrolo[3,2-c]pyridin-2-one?
The canonical SMILES for 1,3,3-triethylpyrrolo[3,2-c]pyridin-2-one is CCN1C(=O)C(CC)(CC)c2cnccc21.
What is the InChIKey of 1,3,3-triethylpyrrolo[3,2-c]pyridin-2-one?
The InChIKey is IDYPKKJHCGUDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-13(5-2)10-9-14-8-7-11(10)15(6-3)12(13)16/h7-9H,4-6H2,1-3H3.
What are the key properties of 1,3,3-triethylpyrrolo[3,2-c]pyridin-2-one?
1,3,3-triethylpyrrolo[3,2-c]pyridin-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-triethylpyrrolo[3,2-c]pyridin-2-one is sourced from PubChem (CID 59565017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).