1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrole-2,5-diol

C15H16N2O3 — CID 123758816

IUPAC1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrole-2,5-diol
SMILESCOc1ccc2[nH]cc(CCn3c(O)ccc3O)c2c1
InChIInChI=1S/C15H16N2O3/c1-20-11-2-3-13-12(8-11)10(9-16-13)6-7-17-14(18)4-5-15(17)19/h2-5,8-9,16,18-19H,6-7H2,1H3
InChIKeyQAHXYZGFGRXQBR-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.63
Rot. Bonds4

About 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrole-2,5-diol

1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrole-2,5-diol (PubChem CID 123758816) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrole-2,5-diol.

Molecular Properties

Compound Name1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrole-2,5-diol
PubChem CID123758816
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrole-2,5-diol
SMILESCOc1ccc2[nH]cc(CCn3c(O)ccc3O)c2c1
InChIInChI=1S/C15H16N2O3/c1-20-11-2-3-13-12(8-11)10(9-16-13)6-7-17-14(18)4-5-15(17)19/h2-5,8-9,16,18-19H,6-7H2,1H3
InChIKeyQAHXYZGFGRXQBR-UHFFFAOYSA-N
XLogP2.63
TPSA70.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2,4-dimethylazetidin-1-yl)ethyl]-5-methoxy-1H-indole
CID 170277434
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-2,6-dione
CID 23283702
6,7-dimethoxy-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-oxoquinazoline-2-carbonitrile
CID 101176856
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3,5-diamine
CID 102230597
3-(2-ethoxyethyl)-5-methoxy-1H-indole
CID 167475271
5-methoxy-3-(3,3,3-trifluoropropyl)-1H-indole
CID 102104245
(2S)-3-acetyl-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 40713736
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylacetamide
CID 22367215
N-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 22144617
3-[3-[4-[3-(5-bromo-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72735021
3-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-1H-indol-5-ol
CID 21469424
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 24802109

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrole-2,5-diol?
The IUPAC name of 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrole-2,5-diol (CID 123758816) is 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrole-2,5-diol.
What is the SMILES notation for 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrole-2,5-diol?
The canonical SMILES for 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrole-2,5-diol is COc1ccc2[nH]cc(CCn3c(O)ccc3O)c2c1.
What is the InChIKey of 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrole-2,5-diol?
The InChIKey is QAHXYZGFGRXQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-20-11-2-3-13-12(8-11)10(9-16-13)6-7-17-14(18)4-5-15(17)19/h2-5,8-9,16,18-19H,6-7H2,1H3.
What are the key properties of 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrole-2,5-diol?
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrole-2,5-diol has a molecular weight of 272.30 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrole-2,5-diol is sourced from PubChem (CID 123758816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).