7-bromo-3-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-1H-indol-5-ol

C15H19BrN2O2 — CID 177159969

IUPAC7-bromo-3-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-1H-indol-5-ol
SMILESOCC1CCCN1CCc1c[nH]c2c(Br)cc(O)cc12
InChIInChI=1S/C15H19BrN2O2/c16-14-7-12(20)6-13-10(8-17-15(13)14)3-5-18-4-1-2-11(18)9-19/h6-8,11,17,19-20H,1-5,9H2
InChIKeyYHPAUIUIRUGALI-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.64
Rot. Bonds4

About 7-bromo-3-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-1H-indol-5-ol

7-bromo-3-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-1H-indol-5-ol (PubChem CID 177159969) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 7-bromo-3-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-1H-indol-5-ol.

Molecular Properties

Compound Name7-bromo-3-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-1H-indol-5-ol
PubChem CID177159969
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name7-bromo-3-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-1H-indol-5-ol
SMILESOCC1CCCN1CCc1c[nH]c2c(Br)cc(O)cc12
InChIInChI=1S/C15H19BrN2O2/c16-14-7-12(20)6-13-10(8-17-15(13)14)3-5-18-4-1-2-11(18)9-19/h6-8,11,17,19-20H,1-5,9H2
InChIKeyYHPAUIUIRUGALI-UHFFFAOYSA-N
XLogP2.64
TPSA59.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-1H-indol-5-ol?
The IUPAC name of 7-bromo-3-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-1H-indol-5-ol (CID 177159969) is 7-bromo-3-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-1H-indol-5-ol.
What is the SMILES notation for 7-bromo-3-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-1H-indol-5-ol?
The canonical SMILES for 7-bromo-3-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-1H-indol-5-ol is OCC1CCCN1CCc1c[nH]c2c(Br)cc(O)cc12.
What is the InChIKey of 7-bromo-3-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-1H-indol-5-ol?
The InChIKey is YHPAUIUIRUGALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c16-14-7-12(20)6-13-10(8-17-15(13)14)3-5-18-4-1-2-11(18)9-19/h6-8,11,17,19-20H,1-5,9H2.
What are the key properties of 7-bromo-3-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-1H-indol-5-ol?
7-bromo-3-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-1H-indol-5-ol has a molecular weight of 339.23 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-1H-indol-5-ol is sourced from PubChem (CID 177159969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).