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

C10H12N2O — CID 21300254

IUPAC1,3,3-trimethylpyrrolo[3,2-c]pyridin-2-one
SMILESCN1C(=O)C(C)(C)c2cnccc21
InChIInChI=1S/C10H12N2O/c1-10(2)7-6-11-5-4-8(7)12(3)9(10)13/h4-6H,1-3H3
InChIKeyUAJUPEWLBDXBBI-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.34
Rot. Bonds

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

1,3,3-trimethylpyrrolo[3,2-c]pyridin-2-one (PubChem CID 21300254) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 1,3,3-trimethylpyrrolo[3,2-c]pyridin-2-one.

Molecular Properties

Compound Name1,3,3-trimethylpyrrolo[3,2-c]pyridin-2-one
PubChem CID21300254
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name1,3,3-trimethylpyrrolo[3,2-c]pyridin-2-one
SMILESCN1C(=O)C(C)(C)c2cnccc21
InChIInChI=1S/C10H12N2O/c1-10(2)7-6-11-5-4-8(7)12(3)9(10)13/h4-6H,1-3H3
InChIKeyUAJUPEWLBDXBBI-UHFFFAOYSA-N
XLogP1.34
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,3-trimethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-carboxamide
CID 110764380
5-fluoro-1,3,3-trimethyl-6-pyridin-3-ylindol-2-one
CID 86581203
1,3-dimethyl-3-(2-pyridin-3-ylethyl)indol-2-one
CID 102223452
2,4,4-trimethyl-1H-2,7-naphthyridin-3-one
CID 21300141
3-(4-methoxyphenyl)-1,3-dimethylpyrrolo[2,3-c]pyridin-2-one
CID 71489493
1,3,3-trimethyl-6-(1-pyridin-4-ylpyrazol-4-yl)indol-2-one
CID 118526045
3-hydroxy-1-methyl-3-(pyridin-3-ylmethyl)indol-2-one
CID 142721308
1,3,3-triethylpyrrolo[3,2-c]pyridin-2-one
CID 59565017
1,3,3-trimethyl-6-(2-pyridin-4-yl-1H-imidazol-5-yl)indol-2-one
CID 118526116
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
methyl 1,3,3-trimethyl-2-oxoindole-5-carboxylate
CID 52911264
1,3,3-trimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one
CID 86581051

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethylpyrrolo[3,2-c]pyridin-2-one?
The IUPAC name of 1,3,3-trimethylpyrrolo[3,2-c]pyridin-2-one (CID 21300254) is 1,3,3-trimethylpyrrolo[3,2-c]pyridin-2-one.
What is the SMILES notation for 1,3,3-trimethylpyrrolo[3,2-c]pyridin-2-one?
The canonical SMILES for 1,3,3-trimethylpyrrolo[3,2-c]pyridin-2-one is CN1C(=O)C(C)(C)c2cnccc21.
What is the InChIKey of 1,3,3-trimethylpyrrolo[3,2-c]pyridin-2-one?
The InChIKey is UAJUPEWLBDXBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-10(2)7-6-11-5-4-8(7)12(3)9(10)13/h4-6H,1-3H3.
What are the key properties of 1,3,3-trimethylpyrrolo[3,2-c]pyridin-2-one?
1,3,3-trimethylpyrrolo[3,2-c]pyridin-2-one has a molecular weight of 176.22 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethylpyrrolo[3,2-c]pyridin-2-one is sourced from PubChem (CID 21300254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).