3-(3,4-dihydro-2H-pyrrol-5-yl)-1H-indol-2-ol

C12H12N2O — CID 750071

IUPAC3-(3,4-dihydro-2H-pyrrol-5-yl)-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1C1=NCCC1
InChIInChI=1S/C12H12N2O/c15-12-11(10-6-3-7-13-10)8-4-1-2-5-9(8)14-12/h1-2,4-5,14-15H,3,6-7H2
InChIKeyWNFDJUUQNPPJKT-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.46
Rot. Bonds1

About 3-(3,4-dihydro-2H-pyrrol-5-yl)-1H-indol-2-ol

3-(3,4-dihydro-2H-pyrrol-5-yl)-1H-indol-2-ol (PubChem CID 750071) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyrrol-5-yl)-1H-indol-2-ol.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyrrol-5-yl)-1H-indol-2-ol
PubChem CID750071
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name3-(3,4-dihydro-2H-pyrrol-5-yl)-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1C1=NCCC1
InChIInChI=1S/C12H12N2O/c15-12-11(10-6-3-7-13-10)8-4-1-2-5-9(8)14-12/h1-2,4-5,14-15H,3,6-7H2
InChIKeyWNFDJUUQNPPJKT-UHFFFAOYSA-N
XLogP2.46
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-pyrrol-5-yl)-1H-indol-2-ol?
The IUPAC name of 3-(3,4-dihydro-2H-pyrrol-5-yl)-1H-indol-2-ol (CID 750071) is 3-(3,4-dihydro-2H-pyrrol-5-yl)-1H-indol-2-ol.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyrrol-5-yl)-1H-indol-2-ol?
The canonical SMILES for 3-(3,4-dihydro-2H-pyrrol-5-yl)-1H-indol-2-ol is Oc1[nH]c2ccccc2c1C1=NCCC1.
What is the InChIKey of 3-(3,4-dihydro-2H-pyrrol-5-yl)-1H-indol-2-ol?
The InChIKey is WNFDJUUQNPPJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c15-12-11(10-6-3-7-13-10)8-4-1-2-5-9(8)14-12/h1-2,4-5,14-15H,3,6-7H2.
What are the key properties of 3-(3,4-dihydro-2H-pyrrol-5-yl)-1H-indol-2-ol?
3-(3,4-dihydro-2H-pyrrol-5-yl)-1H-indol-2-ol has a molecular weight of 200.24 g/mol, XLogP of 2.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-pyrrol-5-yl)-1H-indol-2-ol is sourced from PubChem (CID 750071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).