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

C14H16N2O — CID 615082

IUPAC3-(3,4-dihydro-2H-pyrrol-5-yl)-1-ethylindol-2-ol
SMILESCCn1c(O)c(C2=NCCC2)c2ccccc21
InChIInChI=1S/C14H16N2O/c1-2-16-12-8-4-3-6-10(12)13(14(16)17)11-7-5-9-15-11/h3-4,6,8,17H,2,5,7,9H2,1H3
InChIKeyJNAVIMMVXFJGBJ-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.95
Rot. Bonds2

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

3-(3,4-dihydro-2H-pyrrol-5-yl)-1-ethylindol-2-ol (PubChem CID 615082) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyrrol-5-yl)-1-ethylindol-2-ol.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyrrol-5-yl)-1-ethylindol-2-ol
PubChem CID615082
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name3-(3,4-dihydro-2H-pyrrol-5-yl)-1-ethylindol-2-ol
SMILESCCn1c(O)c(C2=NCCC2)c2ccccc21
InChIInChI=1S/C14H16N2O/c1-2-16-12-8-4-3-6-10(12)13(14(16)17)11-7-5-9-15-11/h3-4,6,8,17H,2,5,7,9H2,1H3
InChIKeyJNAVIMMVXFJGBJ-UHFFFAOYSA-N
XLogP2.95
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-pyrrol-5-yl)-1-ethylindol-2-ol?
The IUPAC name of 3-(3,4-dihydro-2H-pyrrol-5-yl)-1-ethylindol-2-ol (CID 615082) is 3-(3,4-dihydro-2H-pyrrol-5-yl)-1-ethylindol-2-ol.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyrrol-5-yl)-1-ethylindol-2-ol?
The canonical SMILES for 3-(3,4-dihydro-2H-pyrrol-5-yl)-1-ethylindol-2-ol is CCn1c(O)c(C2=NCCC2)c2ccccc21.
What is the InChIKey of 3-(3,4-dihydro-2H-pyrrol-5-yl)-1-ethylindol-2-ol?
The InChIKey is JNAVIMMVXFJGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-16-12-8-4-3-6-10(12)13(14(16)17)11-7-5-9-15-11/h3-4,6,8,17H,2,5,7,9H2,1H3.
What are the key properties of 3-(3,4-dihydro-2H-pyrrol-5-yl)-1-ethylindol-2-ol?
3-(3,4-dihydro-2H-pyrrol-5-yl)-1-ethylindol-2-ol has a molecular weight of 228.29 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-pyrrol-5-yl)-1-ethylindol-2-ol is sourced from PubChem (CID 615082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).