3,3-dimethyl-1H-pyrrolo[2,3-f]quinolin-2-one

C13H12N2O — CID 80501235

IUPAC3,3-dimethyl-1H-pyrrolo[2,3-f]quinolin-2-one
SMILESCC1(C)C(=O)Nc2c1ccc1ncccc21
InChIInChI=1S/C13H12N2O/c1-13(2)9-5-6-10-8(4-3-7-14-10)11(9)15-12(13)16/h3-7H,1-2H3,(H,15,16)
InChIKeyWWBRXLPQFTVUDE-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.46
Rot. Bonds

About 3,3-dimethyl-1H-pyrrolo[2,3-f]quinolin-2-one

3,3-dimethyl-1H-pyrrolo[2,3-f]quinolin-2-one (PubChem CID 80501235) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 3,3-dimethyl-1H-pyrrolo[2,3-f]quinolin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1H-pyrrolo[2,3-f]quinolin-2-one
PubChem CID80501235
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name3,3-dimethyl-1H-pyrrolo[2,3-f]quinolin-2-one
SMILESCC1(C)C(=O)Nc2c1ccc1ncccc21
InChIInChI=1S/C13H12N2O/c1-13(2)9-5-6-10-8(4-3-7-14-10)11(9)15-12(13)16/h3-7H,1-2H3,(H,15,16)
InChIKeyWWBRXLPQFTVUDE-UHFFFAOYSA-N
XLogP2.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1H-pyrrolo[2,3-f]quinolin-2-one?
The IUPAC name of 3,3-dimethyl-1H-pyrrolo[2,3-f]quinolin-2-one (CID 80501235) is 3,3-dimethyl-1H-pyrrolo[2,3-f]quinolin-2-one.
What is the SMILES notation for 3,3-dimethyl-1H-pyrrolo[2,3-f]quinolin-2-one?
The canonical SMILES for 3,3-dimethyl-1H-pyrrolo[2,3-f]quinolin-2-one is CC1(C)C(=O)Nc2c1ccc1ncccc21.
What is the InChIKey of 3,3-dimethyl-1H-pyrrolo[2,3-f]quinolin-2-one?
The InChIKey is WWBRXLPQFTVUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-13(2)9-5-6-10-8(4-3-7-14-10)11(9)15-12(13)16/h3-7H,1-2H3,(H,15,16).
What are the key properties of 3,3-dimethyl-1H-pyrrolo[2,3-f]quinolin-2-one?
3,3-dimethyl-1H-pyrrolo[2,3-f]quinolin-2-one has a molecular weight of 212.25 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1H-pyrrolo[2,3-f]quinolin-2-one is sourced from PubChem (CID 80501235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).