3-ethyl-3-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-one

C16H16N2O — CID 14739525

IUPAC3-ethyl-3-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-one
SMILESCCC1(C)C(=O)N(c2ccccc2)c2ncccc21
InChIInChI=1S/C16H16N2O/c1-3-16(2)13-10-7-11-17-14(13)18(15(16)19)12-8-5-4-6-9-12/h4-11H,3H2,1-2H3
InChIKeyCTXNEQHZSAQKRP-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.43
Rot. Bonds2

About 3-ethyl-3-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-one

3-ethyl-3-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-one (PubChem CID 14739525) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-one
PubChem CID14739525
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name3-ethyl-3-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-one
SMILESCCC1(C)C(=O)N(c2ccccc2)c2ncccc21
InChIInChI=1S/C16H16N2O/c1-3-16(2)13-10-7-11-17-14(13)18(15(16)19)12-8-5-4-6-9-12/h4-11H,3H2,1-2H3
InChIKeyCTXNEQHZSAQKRP-UHFFFAOYSA-N
XLogP3.43
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 3-ethyl-3-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-one (CID 14739525) is 3-ethyl-3-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 3-ethyl-3-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 3-ethyl-3-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-one is CCC1(C)C(=O)N(c2ccccc2)c2ncccc21.
What is the InChIKey of 3-ethyl-3-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-one?
The InChIKey is CTXNEQHZSAQKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-3-16(2)13-10-7-11-17-14(13)18(15(16)19)12-8-5-4-6-9-12/h4-11H,3H2,1-2H3.
What are the key properties of 3-ethyl-3-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-one?
3-ethyl-3-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-one has a molecular weight of 252.32 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 14739525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).