3-(3,4-dimethyl-1H-pyrrol-2-yl)-1,3-dihydroindol-2-one

C14H14N2O — CID 151228191

IUPAC3-(3,4-dimethyl-1H-pyrrol-2-yl)-1,3-dihydroindol-2-one
SMILESCc1c[nH]c(C2C(=O)Nc3ccccc32)c1C
InChIInChI=1S/C14H14N2O/c1-8-7-15-13(9(8)2)12-10-5-3-4-6-11(10)16-14(12)17/h3-7,12,15H,1-2H3,(H,16,17)
InChIKeyNNSAOSCRIRNIES-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.72
Rot. Bonds1

About 3-(3,4-dimethyl-1H-pyrrol-2-yl)-1,3-dihydroindol-2-one

3-(3,4-dimethyl-1H-pyrrol-2-yl)-1,3-dihydroindol-2-one (PubChem CID 151228191) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-(3,4-dimethyl-1H-pyrrol-2-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(3,4-dimethyl-1H-pyrrol-2-yl)-1,3-dihydroindol-2-one
PubChem CID151228191
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name3-(3,4-dimethyl-1H-pyrrol-2-yl)-1,3-dihydroindol-2-one
SMILESCc1c[nH]c(C2C(=O)Nc3ccccc32)c1C
InChIInChI=1S/C14H14N2O/c1-8-7-15-13(9(8)2)12-10-5-3-4-6-11(10)16-14(12)17/h3-7,12,15H,1-2H3,(H,16,17)
InChIKeyNNSAOSCRIRNIES-UHFFFAOYSA-N
XLogP2.72
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethyl-1H-pyrrol-2-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-(3,4-dimethyl-1H-pyrrol-2-yl)-1,3-dihydroindol-2-one (CID 151228191) is 3-(3,4-dimethyl-1H-pyrrol-2-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(3,4-dimethyl-1H-pyrrol-2-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(3,4-dimethyl-1H-pyrrol-2-yl)-1,3-dihydroindol-2-one is Cc1c[nH]c(C2C(=O)Nc3ccccc32)c1C.
What is the InChIKey of 3-(3,4-dimethyl-1H-pyrrol-2-yl)-1,3-dihydroindol-2-one?
The InChIKey is NNSAOSCRIRNIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-8-7-15-13(9(8)2)12-10-5-3-4-6-11(10)16-14(12)17/h3-7,12,15H,1-2H3,(H,16,17).
What are the key properties of 3-(3,4-dimethyl-1H-pyrrol-2-yl)-1,3-dihydroindol-2-one?
3-(3,4-dimethyl-1H-pyrrol-2-yl)-1,3-dihydroindol-2-one has a molecular weight of 226.28 g/mol, XLogP of 2.72, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethyl-1H-pyrrol-2-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 151228191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).