[1-ethyl-2-(hydroxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol

C15H17NO2 — CID 25256747

IUPAC[1-ethyl-2-(hydroxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol
SMILESCCc1c(CO)c(CO)c2n1-c1ccccc1C2
InChIInChI=1S/C15H17NO2/c1-2-13-11(8-17)12(9-18)15-7-10-5-3-4-6-14(10)16(13)15/h3-6,17-18H,2,7-9H2,1H3
InChIKeyTXHCNERZHOYNLK-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.93
Rot. Bonds3

About [1-ethyl-2-(hydroxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol

[1-ethyl-2-(hydroxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol (PubChem CID 25256747) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is [1-ethyl-2-(hydroxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol.

Molecular Properties

Compound Name[1-ethyl-2-(hydroxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol
PubChem CID25256747
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name[1-ethyl-2-(hydroxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol
SMILESCCc1c(CO)c(CO)c2n1-c1ccccc1C2
InChIInChI=1S/C15H17NO2/c1-2-13-11(8-17)12(9-18)15-7-10-5-3-4-6-14(10)16(13)15/h3-6,17-18H,2,7-9H2,1H3
InChIKeyTXHCNERZHOYNLK-UHFFFAOYSA-N
XLogP1.93
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-2-(hydroxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol?
The IUPAC name of [1-ethyl-2-(hydroxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol (CID 25256747) is [1-ethyl-2-(hydroxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol.
What is the SMILES notation for [1-ethyl-2-(hydroxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol?
The canonical SMILES for [1-ethyl-2-(hydroxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol is CCc1c(CO)c(CO)c2n1-c1ccccc1C2.
What is the InChIKey of [1-ethyl-2-(hydroxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol?
The InChIKey is TXHCNERZHOYNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-2-13-11(8-17)12(9-18)15-7-10-5-3-4-6-14(10)16(13)15/h3-6,17-18H,2,7-9H2,1H3.
What are the key properties of [1-ethyl-2-(hydroxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol?
[1-ethyl-2-(hydroxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol has a molecular weight of 243.31 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-2-(hydroxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methanol is sourced from PubChem (CID 25256747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).