5-(1H-indol-3-yl)-3-methylpyrrol-2-one

C13H10N2O — CID 171488388

IUPAC5-(1H-indol-3-yl)-3-methylpyrrol-2-one
SMILESCC1=CC(c2c[nH]c3ccccc23)=NC1=O
InChIInChI=1S/C13H10N2O/c1-8-6-12(15-13(8)16)10-7-14-11-5-3-2-4-9(10)11/h2-7,14H,1H3
InChIKeyDEFJULBGAPEHKJ-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.44
Rot. Bonds1

About 5-(1H-indol-3-yl)-3-methylpyrrol-2-one

5-(1H-indol-3-yl)-3-methylpyrrol-2-one (PubChem CID 171488388) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-(1H-indol-3-yl)-3-methylpyrrol-2-one.

Molecular Properties

Compound Name5-(1H-indol-3-yl)-3-methylpyrrol-2-one
PubChem CID171488388
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name5-(1H-indol-3-yl)-3-methylpyrrol-2-one
SMILESCC1=CC(c2c[nH]c3ccccc23)=NC1=O
InChIInChI=1S/C13H10N2O/c1-8-6-12(15-13(8)16)10-7-14-11-5-3-2-4-9(10)11/h2-7,14H,1H3
InChIKeyDEFJULBGAPEHKJ-UHFFFAOYSA-N
XLogP2.44
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-methylphenyl)-1H-quinolin-4-one
CID 15930283
3-(3,5-dimethylphenyl)-1H-indole
CID 169241956
5-(3,4-dihydroxy-5-methoxyphenyl)-3-(1H-indol-3-yl)pyrrol-2-one
CID 170990560
3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
CID 2400
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
4-(1H-indol-3-yl)cyclohexa-3,5-diene-1,2-dione
CID 134923817
4-(1H-indol-3-yl)-6,8-dimethylquinoline
CID 177392885
4-(1H-indol-3-yl)-5-methyl-1,3-thiazole-2-carbaldehyde
CID 116867279
6-(1H-indol-3-yl)-1H-pyrimidin-2-one
CID 116900685
4-(1H-indol-3-yl)-2H-phthalazin-1-one
CID 135533216
2-(1H-indol-3-yl)-5-methyl-1,3,4-oxadiazole
CID 135876288
methane;3-phenyl-1H-indole
CID 167711687

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-3-yl)-3-methylpyrrol-2-one?
The IUPAC name of 5-(1H-indol-3-yl)-3-methylpyrrol-2-one (CID 171488388) is 5-(1H-indol-3-yl)-3-methylpyrrol-2-one.
What is the SMILES notation for 5-(1H-indol-3-yl)-3-methylpyrrol-2-one?
The canonical SMILES for 5-(1H-indol-3-yl)-3-methylpyrrol-2-one is CC1=CC(c2c[nH]c3ccccc23)=NC1=O.
What is the InChIKey of 5-(1H-indol-3-yl)-3-methylpyrrol-2-one?
The InChIKey is DEFJULBGAPEHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c1-8-6-12(15-13(8)16)10-7-14-11-5-3-2-4-9(10)11/h2-7,14H,1H3.
What are the key properties of 5-(1H-indol-3-yl)-3-methylpyrrol-2-one?
5-(1H-indol-3-yl)-3-methylpyrrol-2-one has a molecular weight of 210.24 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-3-yl)-3-methylpyrrol-2-one is sourced from PubChem (CID 171488388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).