3-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]indol-2-one

C15H14N2O — CID 44608004

IUPAC3-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]indol-2-one
SMILESCc1cc(C)c(CC2=c3ccccc3=NC2=O)[nH]1
InChIInChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-7,16H,8H2,1-2H3
InChIKeyISKNLTZGPKXMCI-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.18
Rot. Bonds2

About 3-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]indol-2-one

3-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]indol-2-one (PubChem CID 44608004) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]indol-2-one.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]indol-2-one
PubChem CID44608004
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name3-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]indol-2-one
SMILESCc1cc(C)c(CC2=c3ccccc3=NC2=O)[nH]1
InChIInChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-7,16H,8H2,1-2H3
InChIKeyISKNLTZGPKXMCI-UHFFFAOYSA-N
XLogP1.18
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]indol-2-one?
The IUPAC name of 3-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]indol-2-one (CID 44608004) is 3-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]indol-2-one.
What is the SMILES notation for 3-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]indol-2-one?
The canonical SMILES for 3-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]indol-2-one is Cc1cc(C)c(CC2=c3ccccc3=NC2=O)[nH]1.
What is the InChIKey of 3-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]indol-2-one?
The InChIKey is ISKNLTZGPKXMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-7,16H,8H2,1-2H3.
What are the key properties of 3-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]indol-2-one?
3-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]indol-2-one has a molecular weight of 238.29 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]indol-2-one is sourced from PubChem (CID 44608004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).