1-(2,4-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)ethanone

C12H12N2O — CID 15422597

IUPAC1-(2,4-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)ethanone
SMILESCC(=O)N1CCc2c1[nH]c1ccccc21
InChIInChI=1S/C12H12N2O/c1-8(15)14-7-6-10-9-4-2-3-5-11(9)13-12(10)14/h2-5,13H,6-7H2,1H3
InChIKeyKZZYWRGJBNEGDU-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.08
Rot. Bonds

About 1-(2,4-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)ethanone

1-(2,4-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)ethanone (PubChem CID 15422597) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(2,4-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)ethanone
PubChem CID15422597
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1-(2,4-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)ethanone
SMILESCC(=O)N1CCc2c1[nH]c1ccccc21
InChIInChI=1S/C12H12N2O/c1-8(15)14-7-6-10-9-4-2-3-5-11(9)13-12(10)14/h2-5,13H,6-7H2,1H3
InChIKeyKZZYWRGJBNEGDU-UHFFFAOYSA-N
XLogP2.08
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)ethanone?
The IUPAC name of 1-(2,4-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)ethanone (CID 15422597) is 1-(2,4-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)ethanone.
What is the SMILES notation for 1-(2,4-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)ethanone?
The canonical SMILES for 1-(2,4-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)ethanone is CC(=O)N1CCc2c1[nH]c1ccccc21.
What is the InChIKey of 1-(2,4-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)ethanone?
The InChIKey is KZZYWRGJBNEGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-8(15)14-7-6-10-9-4-2-3-5-11(9)13-12(10)14/h2-5,13H,6-7H2,1H3.
What are the key properties of 1-(2,4-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)ethanone?
1-(2,4-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)ethanone has a molecular weight of 200.24 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)ethanone is sourced from PubChem (CID 15422597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).